data_2rrk_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 2rrk _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt . . . . . 0 N--CA 1.449 -0.517 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.414 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 62.6 mtm -96.63 141.5 29.81 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 121.638 0.732 . . . . 0.0 111.236 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.571 HD12 HG12 ' A' ' 79' ' ' VAL . 26.7 mt -105.46 109.86 29.18 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 114.449 -1.251 . . . . 0.0 107.947 174.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.46 ' OE1' ' HE1' ' A' ' 87' ' ' HIS . 55.2 mm-40 -90.4 127.61 36.25 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 -172.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.615 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 61.7 t -133.37 130.26 57.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 m -107.76 134.74 48.63 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-O 120.892 0.377 . . . . 0.0 110.197 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.25 132.82 56.54 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.51 ' HB1' HD22 ' A' ' 54' ' ' LEU . . . -102.58 121.16 41.82 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.137 0.494 . . . . 0.0 110.441 -175.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.432 HG12 ' HD2' ' A' ' 39' ' ' PHE . 5.1 mt -95.1 100.13 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.005 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 175.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.465 HG12 HG21 ' A' ' 91' ' ' VAL . 37.3 mt -93.54 101.6 12.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -176.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.542 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 34.6 tt0 -105.41 108.09 19.42 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.079 -172.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 18' ' ' ARG . 13.1 tpt85 -126.47 131.15 51.72 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 72.6 2.33 4.31 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.815 0.697 . . . . 0.0 111.394 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.26 -0.48 37.8 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.388 -0.91 . . . . 0.0 111.208 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 22.2 mttp -114.96 155.56 26.68 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 120.681 0.277 . . . . 0.0 110.499 -176.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.415 ' CG2' HG21 ' A' ' 15' ' ' ILE . 15.6 mt -104.7 148.01 9.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.039 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.458 HD23 HD11 ' A' ' 16' ' ' ILE . 36.5 tp -87.19 121.49 29.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.101 0.477 . . . . 0.0 111.009 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.454 HD12 ' SG ' ' A' ' 109' ' ' CYS . 7.4 mp -115.62 136.26 53.24 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.14 177.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.11 123.14 43.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.056 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.462 ' HA ' ' HA ' ' A' ' 37' ' ' TRP . 25.0 tt0 . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.783 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.666 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.41 HD21 ' HB2' ' A' ' 118' ' ' PRO . 1.7 mp -77.0 120.81 22.63 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.186 0.517 . . . . 0.0 111.794 175.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.462 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 16.8 m0 -97.88 155.93 16.83 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.482 177.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -131.3 164.77 24.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.772 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.432 ' HD2' HG12 ' A' ' 15' ' ' ILE . 4.5 m-85 -88.67 117.81 27.89 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.81 150.23 16.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.804 -174.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.3 -133.64 2.98 Favored Glycine 0 N--CA 1.443 -0.879 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -176.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.53 173.53 33.27 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.038 -1.077 . . . . 0.0 113.387 178.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -77.86 145.61 36.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.828 0.347 . . . . 0.0 110.46 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.3 t -100.53 121.24 51.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.061 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -80.05 139.43 53.15 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 171.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.5 -29.85 71.15 Favored 'Trans proline' 0 CA--C 1.529 0.255 0 C-N-CA 122.691 2.261 . . . . 0.0 112.706 -175.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -84.48 -3.11 58.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.798 -177.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -116.54 161.84 18.51 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' A' ' 52' ' ' GLN . 33.5 t -86.59 154.93 20.68 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 -177.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -62.79 -42.51 99.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.51 0.195 . . . . 0.0 110.999 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.451 ' O ' HG21 ' A' ' 55' ' ' VAL . 77.9 mtt180 -67.76 -39.45 84.14 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 175.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.418 ' HB3' ' HB3' ' A' ' 49' ' ' SER . 31.4 tt0 -66.43 -38.29 87.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.995 -175.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.97 79.39 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.28 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.693 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 24.7 mt -59.42 -46.99 87.16 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.904 0.383 . . . . 0.0 110.697 178.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 51' ' ' ARG . 70.7 t -58.44 -46.83 89.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.017 -177.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.581 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.5 ppt_? -76.74 -40.85 47.1 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.236 -177.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.82 -44.25 94.11 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.556 0.217 . . . . 0.0 111.178 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 44.4 mt -69.14 -31.86 70.83 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 120.538 -0.465 . . . . 0.0 109.884 178.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -64.98 -36.18 83.56 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.778 0.323 . . . . 0.0 110.987 175.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.581 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 28.4 mt-10 -83.47 -41.31 18.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.203 -178.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.629 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 69.3 mm-40 -88.93 -45.91 9.31 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.697 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 65.3 mt -102.34 4.67 39.27 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.781 -172.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.57 27.98 20.22 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 114.81 0.684 . . . . 0.0 114.81 -176.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.4 pt -127.09 142.85 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 118.204 1.002 . . . . 0.0 112.054 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.535 ' HB2' ' HB2' ' A' ' 95' ' ' HIS . 41.3 mt-10 -91.92 97.84 11.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.796 175.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.99 153.31 22.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.278 0.561 . . . . 0.0 111.956 -173.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.581 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 44.7 m -110.98 107.4 16.81 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.254 176.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.3 t -80.48 136.07 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.319 -177.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -141.52 -85.23 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.055 -1.069 . . . . 0.0 113.431 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.561 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 10.2 pt-20 -85.05 126.63 33.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.374 0.607 . . . . 0.0 111.302 -172.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -79.64 132.75 36.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.249 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.544 ' HB ' ' O ' ' A' ' 88' ' ' ALA . 90.2 t -92.1 -68.6 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.72 0.295 . . . . 0.0 111.153 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -161.31 163.66 30.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 111.529 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.4 p -123.83 149.09 46.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.043 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -137.75 139.55 40.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.355 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -115.95 137.83 51.75 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.113 0.483 . . . . 0.0 111.217 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.693 ' HG3' HG13 ' A' ' 84' ' ' ILE . 31.9 ptt180 -147.71 173.42 12.79 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -120.4 149.84 41.72 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 119.724 -0.79 . . . . 0.0 111.254 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.571 HG12 HD12 ' A' ' 9' ' ' ILE . 2.5 p -125.63 96.32 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 173.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.6 p 41.74 70.39 0.28 Allowed 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.119 -173.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.79 -22.86 10.08 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 120.756 -0.735 . . . . 0.0 114.517 176.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.503 ' HB2' HG13 ' A' ' 79' ' ' VAL . 99.1 mtt180 -96.65 136.85 36.61 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 117.735 0.767 . . . . 0.0 110.493 -177.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 8' ' ' MET . 2.0 mp -93.63 114.96 31.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 120.861 0.362 . . . . 0.0 110.789 -175.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.693 HG13 ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -87.53 132.62 32.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.32 0.581 . . . . 0.0 110.025 176.592 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -117.43 97.83 6.09 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.689 -173.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.615 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.7 mp -95.13 135.98 36.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.843 0.354 . . . . 0.0 111.436 -175.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.46 ' HE1' ' OE1' ' A' ' 10' ' ' GLU . 71.9 m80 -118.72 114.38 22.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.073 176.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.544 ' O ' ' HB ' ' A' ' 72' ' ' VAL . . . -93.12 107.46 19.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 51.2 m0 -115.18 143.71 44.8 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.149 0.499 . . . . 0.0 110.718 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.561 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 46.9 t-80 -92.49 115.84 28.45 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.294 -176.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.465 HG21 HG12 ' A' ' 16' ' ' ILE . 11.8 m -91.71 105.48 13.46 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.75 175.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.581 ' HD2' ' O ' ' A' ' 67' ' ' THR . 73.5 Cg_endo -78.17 -2.28 12.38 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.613 2.209 . . . . 0.0 112.649 -176.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.524 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 26.9 t70 -154.5 143.55 21.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.754 -177.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -146.45 136.2 23.23 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.992 175.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.535 ' HB2' ' HB2' ' A' ' 65' ' ' GLU . 30.0 m170 -100.55 120.81 40.58 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.147 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 123.15 -160.86 17.61 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.871 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 55.7 m -130.09 135.14 47.9 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.479 ' H ' HD12 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -72.52 125.18 26.81 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.489 0.662 . . . . 0.0 111.289 -170.682 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.697 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.8 pt20 -130.55 157.46 42.64 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.068 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.479 ' HB2' HD11 ' A' ' 106' ' ' LEU . . . -109.42 106.39 16.14 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.563 -178.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -80.14 -74.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.068 0.461 . . . . 0.0 110.751 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.629 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 13.8 mt-10 -91.48 25.74 2.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.176 0.513 . . . . 0.0 110.98 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.423 ' HB2' ' HB3' ' A' ' 100' ' ' ALA . 77.4 m80 -133.5 147.8 51.66 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -178.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -82.89 -61.86 1.75 Allowed 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 121.162 -0.215 . . . . 0.0 111.543 -174.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.3 154.16 33.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.847 -177.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 100' ' ' ALA . 1.3 tp -127.84 126.21 41.19 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.8 p -136.53 144.63 32.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.15 0.5 . . . . 0.0 111.883 -175.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -104.58 118.02 35.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.036 173.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.454 ' SG ' HD12 ' A' ' 24' ' ' LEU . 25.9 p -137.3 155.72 49.11 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.287 176.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.447 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 20.1 m -69.32 156.58 91.34 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.124 -177.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.547 ' O ' HD11 ' A' ' 127' ' ' LEU . 8.1 Cg_endo -51.21 -49.49 16.94 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.86 2.373 . . . . 0.0 112.771 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -63.42 -36.38 83.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.866 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.447 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 7.7 mm-40 -68.56 -41.14 80.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.408 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.72 -41.35 90.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.207 -174.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -73.13 -7.65 52.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.844 0.354 . . . . 0.0 111.391 -174.865 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -90.73 -0.29 57.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.066 0.46 . . . . 0.0 110.524 176.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.472 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 45.2 m-85 -106.25 164.33 15.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.952 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 117' ' ' TYR . 49.3 Cg_endo -71.81 72.77 2.51 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.532 2.154 . . . . 0.0 112.345 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.4 HD23 HD22 ' A' ' 24' ' ' LEU . 67.9 mt -81.25 153.56 27.06 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.003 175.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.531 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -59.99 149.2 74.84 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.517 0.198 . . . . 0.0 110.522 176.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.98 -20.86 31.55 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.326 2.684 . . . . 0.0 113.932 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -89.98 -25.37 20.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 0.0 111.131 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.531 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.3 m-20 -79.32 -23.91 43.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.507 -175.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.501 HG21 HD11 ' A' ' 115' ' ' LEU . 74.4 mt -61.84 -58.73 16.23 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.161 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.444 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 17.7 Cg_endo -58.53 -26.87 80.33 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 122.547 2.165 . . . . 0.0 112.685 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.408 HD12 ' HB1' ' A' ' 88' ' ' ALA . 86.7 mt -75.7 -44.85 40.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.212 -178.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.547 HD11 ' O ' ' A' ' 111' ' ' PRO . 3.3 tm? -70.15 -37.6 75.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.909 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -48.99 -46.27 43.55 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 176.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.42 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . . . -80.88 -18.28 47.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.737 -177.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.409 ' HB2' HG12 ' A' ' 72' ' ' VAL . 92.8 t80 -73.38 -47.76 39.48 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -68.46 -32.53 72.61 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.528 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.42 ' HB2' ' HA ' ' A' ' 129' ' ' ALA . . . -57.49 -41.33 80.5 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.978 0.418 . . . . 0.0 110.839 171.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.9 mp -64.98 -36.56 84.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.035 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -80.3 -27.85 38.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -92.86 -40.18 10.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.817 0.342 . . . . 0.0 111.652 -174.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 120.866 0.365 . . . . 0.0 110.113 178.695 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm . . . . . 0 N--CA 1.448 -0.538 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.405 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 84.5 mtp -101.79 136.53 41.47 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.698 0.761 . . . . 0.0 111.537 -177.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.521 ' HB ' HG22 ' A' ' 84' ' ' ILE . 53.8 mt -113.13 117.38 55.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 114.447 -1.251 . . . . 0.0 109.385 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -98.05 124.12 42.4 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -178.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.599 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 93.2 t -126.48 128.92 71.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 m -106.77 135.51 44.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-O 121.052 0.453 . . . . 0.0 110.563 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.54 129.7 56.33 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.058 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.484 ' HB1' HD22 ' A' ' 54' ' ' LEU . . . -102.14 111.8 24.22 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.063 0.459 . . . . 0.0 110.039 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.417 HG21 ' CG2' ' A' ' 22' ' ' ILE . 7.2 mt -94.88 100.09 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 177.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.444 HD11 HD23 ' A' ' 23' ' ' LEU . 35.1 mt -91.83 106.31 17.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.409 -179.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.572 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . 17.2 tt0 -112.25 124.27 52.09 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.125 -176.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.786 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -139.82 130.05 25.22 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.25 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 68.09 17.12 9.49 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.704 0.627 . . . . 0.0 111.332 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.64 10.03 63.81 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.413 -0.899 . . . . 0.0 111.758 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 15.8 mmtp -120.32 142.14 49.39 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -178.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.42 HD13 HG23 ' A' ' 22' ' ' ILE . 48.5 mt -103.7 140.13 22.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.0 -178.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.459 HD11 ' HB3' ' A' ' 106' ' ' LEU . 49.6 tp -77.28 116.52 17.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.176 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.546 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 54.6 mt -114.74 131.63 56.71 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.94 175.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.442 ' HB2' ' CB ' ' A' ' 103' ' ' HIS . . . -117.42 125.3 50.72 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.618 -177.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.29 -178.046 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 113.203 0.041 . . . . 0.0 113.203 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.541 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 5.9 mp -76.03 147.35 38.8 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.148 0.499 . . . . 0.0 111.984 -177.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.546 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 19.2 m95 -120.42 156.83 30.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.291 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -147.69 170.89 16.57 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -81.08 145.7 30.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 174.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.92 160.13 31.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.713 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.76 -135.96 7.88 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.09 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.94 -171.68 35.01 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.839 -178.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 44' ' ' VAL . 53.0 tttm -78.36 155.35 30.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.401 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 59.4 t -106.37 129.35 59.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.424 178.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.493 ' C ' ' H ' ' A' ' 47' ' ' ASP . 36.3 mm-40 -91.49 152.57 43.71 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 174.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -68.26 12.29 0.24 Allowed 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 122.564 2.176 . . . . 0.0 112.39 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.493 ' H ' ' C ' ' A' ' 45' ' ' GLU . 32.3 t70 -105.15 -10.45 17.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.413 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -135.34 169.32 17.66 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.135 -173.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.5 m -91.78 160.0 15.54 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.166 176.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -70.69 -42.67 70.39 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -173.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -69.64 -31.74 70.0 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -65.06 -40.51 94.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.802 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.95 97.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.886 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.641 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 42.9 mt -62.97 -47.8 81.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.827 0.346 . . . . 0.0 110.8 178.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.96 -45.41 95.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.268 -177.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.58 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.3 ppt_? -69.41 -41.77 75.96 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.434 -0.507 . . . . 0.0 111.03 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.42 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 5.0 mm-40 -61.28 -52.13 66.0 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 178.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 28.0 mt -62.33 -35.49 79.25 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.521 -177.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -59.63 -34.16 72.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.96 0.409 . . . . 0.0 110.914 174.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.58 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 21.0 mt-10 -87.26 -40.49 14.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.605 -177.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.602 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 4.8 pt-20 -92.77 -42.65 9.45 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -177.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.661 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 60.4 mt -101.55 2.86 39.51 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.459 -173.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.37 26.53 30.17 Favored Glycine 0 CA--C 1.522 0.484 0 C-N-CA 121.166 -0.54 . . . . 0.0 114.054 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.3 pt -125.32 142.18 42.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.652 0.739 . . . . 0.0 112.022 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -93.45 93.3 8.06 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.633 -1.167 . . . . 0.0 108.66 176.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 94' ' ' PHE . . . -85.61 157.45 20.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.891 -172.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.537 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 28.3 m -117.78 104.88 11.4 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.387 175.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.4 t -80.83 121.33 34.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.171 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.503 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . -169.11 68.4 0.16 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 119.864 -1.16 . . . . 0.0 113.834 -174.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.543 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 14.0 pt-20 159.52 142.92 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.224 1.01 . . . . 0.0 109.406 175.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.423 ' HD1' ' NE1' ' A' ' 89' ' ' TRP . 8.5 t80 -104.83 126.51 51.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.571 -170.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.472 ' HA ' ' CD2' ' A' ' 133' ' ' LEU . 89.6 t -96.02 -70.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.952 175.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -162.1 177.16 9.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.036 0.446 . . . . 0.0 111.64 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.1 p -143.86 147.57 34.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.104 175.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -132.53 135.07 45.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.268 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -105.2 139.23 40.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.066 0.46 . . . . 0.0 110.228 173.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.484 ' HG3' HG13 ' A' ' 84' ' ' ILE . 21.6 ptt85 -152.82 174.9 13.49 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 174.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -120.66 150.52 40.8 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 119.773 -0.771 . . . . 0.0 111.075 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.591 ' HB ' HD12 ' A' ' 84' ' ' ILE . 2.3 p -116.94 93.28 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 171.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.4 m 41.77 71.69 0.2 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.196 -177.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.29 -24.02 18.62 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 114.755 0.662 . . . . 0.0 114.755 176.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.554 ' HB2' HG13 ' A' ' 79' ' ' VAL . 52.8 mtt180 -97.57 138.42 35.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.013 0.906 . . . . 0.0 110.262 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 8' ' ' MET . 1.9 mp -94.78 116.78 36.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.008 0.432 . . . . 0.0 111.044 -176.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.591 HD12 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -93.14 137.2 23.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.969 178.556 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -123.04 98.02 5.7 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.143 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.599 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 5.5 mp -90.94 135.74 33.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.869 0.366 . . . . 0.0 111.53 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -114.14 119.34 36.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.103 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -99.22 108.92 21.62 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.002 0.43 . . . . 0.0 110.614 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.536 ' HD1' ' O ' ' A' ' 70' ' ' GLU . 2.0 m-90 -106.25 149.87 26.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.383 176.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.572 ' NE2' ' HB3' ' A' ' 17' ' ' GLU . 50.5 t-80 -95.52 130.12 42.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.3 t -90.7 104.15 8.55 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.566 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 84.4 Cg_endo -80.74 -24.49 4.97 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.829 2.353 . . . . 0.0 112.58 -178.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -148.35 138.9 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.599 -175.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.468 ' HE1' ' HD2' ' A' ' 18' ' ' ARG . 45.3 p90 -146.99 136.92 23.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.194 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -107.4 120.5 42.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.923 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 128.97 -161.66 22.52 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.881 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.6 m -119.47 120.34 36.53 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.542 HD11 ' HE1' ' A' ' 108' ' ' TRP . 0.7 OUTLIER -72.68 116.58 13.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.716 -175.17 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.661 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 8.9 pt20 -133.11 171.0 14.58 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.541 -1.208 . . . . 0.0 109.474 -174.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 103' ' ' HIS . . . -109.81 115.38 29.73 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.905 0.384 . . . . 0.0 110.821 178.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.602 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 16.4 t-80 -105.9 -55.73 2.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.44 178.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -91.51 -38.73 12.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.235 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.484 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 46.7 m80 -79.87 160.65 25.97 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -83.17 -52.02 6.98 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -173.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -147.2 165.78 29.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.86 -0.154 . . . . 0.0 110.614 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.459 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.8 mm? -117.47 140.97 48.91 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 123.186 0.304 . . . . 0.0 110.182 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.9 p -128.96 134.24 64.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 169.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.542 ' HE1' HD11 ' A' ' 98' ' ' LEU . 25.1 m-90 -100.5 113.42 26.2 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 176.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 12.4 p -136.4 152.66 50.86 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.486 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.421 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 3.1 m -65.7 160.95 57.29 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.039 -178.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.548 ' O ' HD11 ' A' ' 127' ' ' LEU . 5.6 Cg_endo -49.53 -48.2 19.86 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.786 2.324 . . . . 0.0 112.76 179.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.64 -32.52 74.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.763 0.316 . . . . 0.0 111.101 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.447 ' O ' ' HD1' ' A' ' 117' ' ' TYR . 24.1 mm-40 -71.81 -38.25 70.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.836 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.56 -39.72 81.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.787 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.5 HD21 HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -74.63 -14.3 60.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.772 0.32 . . . . 0.0 110.547 -177.632 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -80.09 -13.92 58.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.066 0.46 . . . . 0.0 110.512 175.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.447 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 35.6 m-85 -89.89 159.59 42.67 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.398 -178.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.541 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 41.5 Cg_endo -70.22 82.43 0.85 Allowed 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.279 1.986 . . . . 0.0 111.626 176.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 71.0 mt -91.19 153.01 20.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.191 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.525 ' HB2' ' OD1' ' A' ' 123' ' ' ASP . . . -66.25 156.17 85.75 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.506 177.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 120' ' ' ALA . 11.3 Cg_endo -55.23 -23.57 37.63 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.191 2.594 . . . . 0.0 113.502 -177.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -87.34 -28.1 22.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.612 0.244 . . . . 0.0 111.115 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.525 ' OD1' ' HB2' ' A' ' 120' ' ' ALA . 1.8 m-20 -78.4 -24.0 46.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.146 0.498 . . . . 0.0 110.501 -175.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.48 ' HB ' ' HD3' ' A' ' 125' ' ' PRO . 79.5 mt -61.3 -60.34 10.82 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.129 -177.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.48 ' HD3' ' HB ' ' A' ' 124' ' ' ILE . 28.4 Cg_endo -63.39 -24.44 71.28 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.536 2.157 . . . . 0.0 112.666 -178.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 93.1 mt -73.65 -43.51 59.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.548 HD11 ' O ' ' A' ' 111' ' ' PRO . 2.8 tm? -72.28 -37.32 69.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.132 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -51.64 -44.65 63.04 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.818 0.342 . . . . 0.0 110.817 175.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.502 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -80.38 -15.36 57.02 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.542 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.436 ' HB3' HD23 ' A' ' 127' ' ' LEU . 66.2 t80 -76.26 -47.19 24.72 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 177.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 16.1 ptp -65.52 -35.89 82.22 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.138 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.502 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -59.37 -39.82 84.5 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.984 0.421 . . . . 0.0 110.719 171.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.472 ' CD2' ' HA ' ' A' ' 72' ' ' VAL . 0.9 OUTLIER -67.78 -30.09 69.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.972 -178.196 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.479 ' HD3' ' HG3' ' A' ' 111' ' ' PRO . 51.6 mtp85 -86.13 -24.12 26.35 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 177.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -88.63 -39.56 13.97 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.783 -176.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.964 178.717 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? . . . . . 0 CA--C 1.519 -0.236 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 54.5 mtp -104.9 134.13 48.53 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.733 0.778 . . . . 0.0 112.063 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.59 ' HB ' HG23 ' A' ' 84' ' ' ILE . 36.5 mt -115.21 114.7 47.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.163 176.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -94.46 127.13 40.17 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 90.1 t -132.4 130.08 59.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 m -106.14 135.9 42.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-O 121.047 0.451 . . . . 0.0 110.27 176.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.7 132.8 56.43 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.495 ' HB3' HD22 ' A' ' 54' ' ' LEU . . . -102.1 123.92 46.8 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.13 0.49 . . . . 0.0 110.275 -176.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.434 HG22 HG21 ' A' ' 22' ' ' ILE . 3.8 mt -94.68 99.81 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 176.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.535 HG12 HG21 ' A' ' 91' ' ' VAL . 34.9 mt -94.64 109.77 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.238 -174.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 65.8 tt0 -106.65 134.45 49.78 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.559 -174.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -143.23 120.58 11.6 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 65.99 10.98 7.41 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.437 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.74 2.41 43.05 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.174 -1.012 . . . . 0.0 112.261 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 10.0 mttp -114.81 151.64 33.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.434 HG21 HG22 ' A' ' 15' ' ' ILE . 7.1 mt -104.33 147.88 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -178.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.528 HD12 ' HB3' ' A' ' 106' ' ' LEU . 52.5 tp -85.92 117.5 24.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.194 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.723 HD11 ' HG ' ' A' ' 109' ' ' CYS . 7.8 mp -109.86 139.16 45.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.088 177.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.94 121.69 39.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.855 0.36 . . . . 0.0 111.5 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.964 -178.448 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.728 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.488 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 6.4 mp -76.82 149.63 36.19 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.954 0.407 . . . . 0.0 110.783 177.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.566 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 56.2 m95 -117.7 154.68 31.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.14 -178.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -154.64 162.66 41.03 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 174.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.425 ' HD2' HG12 ' A' ' 15' ' ' ILE . 9.6 m-30 -80.6 139.06 36.46 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.88 161.61 29.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.945 0.403 . . . . 0.0 111.352 -175.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.02 -133.8 3.1 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.43 176.51 37.02 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.232 -0.985 . . . . 0.0 113.107 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -78.62 148.67 33.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.1 t -100.62 111.42 30.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.869 -178.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -74.12 143.62 80.72 Favored Pre-proline 0 C--N 1.317 -0.838 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.63 -9.1 17.09 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.595 2.197 . . . . 0.0 112.846 -176.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -98.15 -3.07 38.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.113 0.482 . . . . 0.0 110.141 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.493 ' HB2' HE21 ' A' ' 52' ' ' GLN . 20.7 pt-20 -127.07 159.26 34.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.527 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 p -96.66 168.09 10.73 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.363 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -60.4 -53.57 56.05 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -172.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.429 ' O ' HG23 ' A' ' 55' ' ' VAL . 81.5 mtt180 -63.22 -34.43 77.63 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.491 0.662 . . . . 0.0 109.607 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.493 HE21 ' HB2' ' A' ' 48' ' ' GLU . 30.1 tt0 -68.73 -42.3 77.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.277 -176.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.5 -45.52 93.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.718 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.645 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 24.1 mt -60.33 -46.71 88.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 110.893 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 51' ' ' ARG . 53.3 t -60.07 -43.42 92.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.3 -177.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.682 ' HD3' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -71.99 -45.12 62.15 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.768 178.492 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.682 ' N ' ' HD3' ' A' ' 56' ' ' ARG . 5.4 mm-40 -61.52 -42.9 99.5 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -176.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 41.7 mt -69.83 -29.57 66.87 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.249 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -68.82 -39.26 80.13 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.714 173.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.633 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 39.6 mt-10 -78.7 -33.5 46.79 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -176.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.519 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 4.1 mt-10 -89.5 -52.18 5.15 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.811 172.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.762 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 23.4 mt -101.05 6.11 43.26 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -166.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 45.05 34.25 4.11 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 114.869 0.707 . . . . 0.0 114.869 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.536 HG12 ' HB2' ' A' ' 62' ' ' LEU . 34.6 pt -123.59 145.12 31.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 117.985 0.892 . . . . 0.0 111.874 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.469 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 34.1 mt-10 -90.25 95.72 10.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.009 174.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.43 ' CB ' HD11 ' A' ' 58' ' ' LEU . . . -87.63 154.63 20.44 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.979 0.419 . . . . 0.0 111.478 -175.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.584 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 64.9 m -116.24 110.21 18.46 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.784 175.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 t -85.71 121.85 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -124.4 -83.72 0.58 Allowed Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.288 -0.958 . . . . 0.0 113.007 -174.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.542 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 15.4 pt-20 -89.17 134.02 34.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.399 0.619 . . . . 0.0 111.643 -173.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.533 ' HB3' ' CZ3' ' A' ' 89' ' ' TRP . 55.1 m-85 -81.15 132.78 35.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.126 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.53 ' HB ' ' O ' ' A' ' 88' ' ' ALA . 86.5 t -94.05 -70.8 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 120.76 0.314 . . . . 0.0 110.898 177.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -163.77 179.79 6.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.471 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.9 m -145.42 151.65 38.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.766 177.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -137.95 147.41 44.27 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -112.45 144.06 42.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.321 0.581 . . . . 0.0 111.693 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.619 ' HG3' HG13 ' A' ' 84' ' ' ILE . 16.4 ptt180 -154.97 173.89 15.92 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 173.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -119.74 151.45 38.75 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 119.562 -0.855 . . . . 0.0 111.067 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.576 ' HB ' HD12 ' A' ' 84' ' ' ILE . 2.9 p -122.38 95.1 3.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.343 172.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 p 45.31 67.87 0.66 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.078 -175.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.99 -19.15 23.33 Favored Glycine 0 CA--C 1.522 0.476 0 C-N-CA 121.072 -0.585 . . . . 0.0 114.364 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.487 ' HB2' HG11 ' A' ' 79' ' ' VAL . 63.6 mtt180 -95.75 133.62 39.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.569 0.684 . . . . 0.0 110.108 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mp -93.87 113.07 27.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-O 121.05 0.452 . . . . 0.0 110.443 -175.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.619 HG13 ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -90.87 131.25 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.621 178.67 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -116.63 97.28 5.91 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.269 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.577 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.6 mp -89.91 130.36 36.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -176.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.559 ' HB3' ' CZ2' ' A' ' 89' ' ' TRP . 71.8 m-70 -113.87 113.54 25.02 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.809 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.53 ' O ' ' HB ' ' A' ' 72' ' ' VAL . . . -93.77 104.99 17.05 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.166 177.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.559 ' CZ2' ' HB3' ' A' ' 87' ' ' HIS . 2.6 m95 -109.12 142.58 39.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.014 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.542 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 29.3 t-80 -90.87 117.74 29.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.417 -177.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.535 HG21 HG12 ' A' ' 16' ' ' ILE . 14.2 m -95.15 107.06 29.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 174.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.584 ' HD2' ' O ' ' A' ' 67' ' ' THR . 60.1 Cg_endo -71.28 -14.71 31.47 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.728 2.285 . . . . 0.0 112.984 -174.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -158.56 152.55 23.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.098 0.475 . . . . 0.0 111.357 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -144.55 140.3 28.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.432 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.469 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 41.2 t-80 -108.36 124.83 50.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.694 0.283 . . . . 0.0 110.551 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.74 -166.53 17.37 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.472 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.3 m -115.53 117.24 29.8 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.54 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -73.72 124.44 26.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.739 0.781 . . . . 0.0 111.049 -173.527 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.762 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 20.0 pt20 -124.89 159.31 31.42 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.71 -1.132 . . . . 0.0 108.69 -177.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 103' ' ' HIS . . . -107.02 107.18 18.06 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.533 177.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -89.17 -56.55 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.389 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.519 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 13.9 mt-10 -87.69 -51.52 5.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.706 177.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.46 ' O ' ' HB3' ' A' ' 100' ' ' ALA . 77.2 m80 -69.81 163.93 24.74 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 177.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -86.6 -63.84 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -173.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -131.7 167.92 18.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.132 -175.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.528 ' HB3' HD12 ' A' ' 23' ' ' LEU . 2.4 mm? -121.77 139.21 53.88 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 -178.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.4 p -135.15 139.58 46.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.886 0.374 . . . . 0.0 110.989 173.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.475 ' HZ2' HD23 ' A' ' 98' ' ' LEU . 97.4 m95 -97.76 117.86 33.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.282 174.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.723 ' HG ' HD11 ' A' ' 24' ' ' LEU . 26.3 p -139.87 155.93 46.97 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 174.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.9 m -72.86 156.54 89.75 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -177.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.504 ' O ' HD13 ' A' ' 127' ' ' LEU . 3.9 Cg_endo -46.52 -49.05 12.51 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.467 2.778 . . . . 0.0 113.395 -177.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -66.4 -35.62 80.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.306 -177.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -70.4 -39.18 74.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.789 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.61 -39.06 72.95 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.123 -176.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.491 HD23 HD11 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -72.34 -14.2 61.67 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.862 0.363 . . . . 0.0 110.577 -175.158 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -87.18 -7.85 57.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.943 0.401 . . . . 0.0 110.593 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -83.83 160.91 57.31 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 176.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.488 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 50.3 Cg_endo -71.01 75.4 1.74 Allowed 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 121.973 1.782 . . . . 0.0 111.153 175.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.566 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 74.5 mt -80.99 153.45 27.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.697 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.8 148.35 76.19 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.35 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -55.4 -27.33 57.83 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.833 2.355 . . . . 0.0 113.214 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.462 ' HB1' ' HD3' ' A' ' 77' ' ' ARG . . . -92.39 -17.17 24.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.248 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -79.78 -28.79 40.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.338 0.589 . . . . 0.0 110.07 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.539 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 75.8 mt -63.48 -57.63 19.06 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.771 -174.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 18.9 Cg_endo -57.98 -27.15 78.04 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.496 2.131 . . . . 0.0 112.819 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.455 HD13 ' HB3' ' A' ' 86' ' ' LEU . 98.6 mt -73.65 -38.94 64.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.267 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.504 HD13 ' O ' ' A' ' 111' ' ' PRO . 3.2 tm? -76.28 -37.39 57.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.762 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 32.2 mt-10 -56.76 -40.8 76.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.525 0.202 . . . . 0.0 111.081 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.29 -25.58 51.47 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.269 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -67.82 -45.69 74.01 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.7 ptm -70.62 -35.16 72.8 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.014 176.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.57 -50.94 71.98 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.967 0.413 . . . . 0.0 111.558 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.18 -26.69 68.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.724 -173.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 134' ' ' ARG . 19.0 mtp180 -92.93 -22.11 19.41 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.685 -177.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.99 -38.1 13.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.991 0.425 . . . . 0.0 110.831 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.29 179.936 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.2 mtt -97.94 131.9 43.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.545 0.688 . . . . 0.0 110.826 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.589 ' HB ' HG21 ' A' ' 84' ' ' ILE . 37.1 mt -105.4 117.03 50.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.017 -0.992 . . . . 0.0 108.964 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -93.67 123.97 37.35 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 92.6 t -128.53 129.05 68.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 m -102.0 133.73 44.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-O 121.053 0.454 . . . . 0.0 110.218 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.81 132.56 55.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.07 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.521 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -102.89 117.16 34.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.154 0.502 . . . . 0.0 110.816 -177.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 mt -97.73 100.95 11.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 174.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.481 HG12 ' CG2' ' A' ' 91' ' ' VAL . 36.8 mt -91.65 104.79 15.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.282 -176.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.537 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . 39.9 tt0 -111.93 113.97 26.6 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.137 -175.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.99 143.48 42.82 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 176.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 69.48 7.56 6.3 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.509 0.506 . . . . 0.0 111.004 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.28 -0.95 64.16 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -177.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 15.7 mmtp -113.96 154.69 27.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.462 -0.369 . . . . 0.0 110.345 -176.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.515 HG21 ' HE1' ' A' ' 39' ' ' PHE . 23.1 mt -104.19 142.85 16.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.472 HD22 HD13 ' A' ' 16' ' ' ILE . 39.2 tp -81.13 119.23 23.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.101 0.477 . . . . 0.0 110.621 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.598 HD12 ' HG ' ' A' ' 109' ' ' CYS . 8.5 mp -114.99 133.75 55.77 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.072 176.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' A' ' 37' ' ' TRP . . . -108.38 127.22 53.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.3 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 C--N 1.318 -0.769 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.36 174.157 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.608 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 118' ' ' PRO . 2.0 mm? -74.27 141.99 45.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.666 0.269 . . . . 0.0 110.465 177.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.536 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 35.4 m0 -107.38 147.74 29.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.198 175.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.48 173.65 13.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.896 0.379 . . . . 0.0 111.528 177.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.515 ' HE1' HG21 ' A' ' 22' ' ' ILE . 96.5 m-85 -92.38 118.8 31.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.504 176.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.73 164.29 6.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.732 -177.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.82 -133.45 3.62 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -176.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.412 ' HA3' ' OE2' ' A' ' 57' ' ' GLU . . . 161.3 179.36 35.97 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.734 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -78.1 150.61 33.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.945 0.402 . . . . 0.0 110.48 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.7 t -99.11 126.3 52.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.649 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -84.91 143.75 40.71 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 171.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -55.1 -29.3 64.99 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.71 2.273 . . . . 0.0 113.094 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -70.7 -28.56 64.85 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -104.17 163.45 12.39 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.428 0.633 . . . . 0.0 111.551 -173.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.2 m -96.38 167.2 11.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.734 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -57.42 -57.03 14.43 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.119 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.514 ' O ' HG21 ' A' ' 55' ' ' VAL . 83.2 mtt180 -65.94 -28.5 68.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.208 0.528 . . . . 0.0 109.703 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -71.34 -43.45 66.97 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.394 -172.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.47 -47.33 86.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.875 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.666 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 31.5 mt -61.45 -43.18 99.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.726 0.298 . . . . 0.0 111.27 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.514 HG21 ' O ' ' A' ' 51' ' ' ARG . 53.8 t -61.96 -43.18 97.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.034 -177.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.507 ' HG3' ' N ' ' A' ' 57' ' ' GLU . 13.1 ptt85 -73.36 -44.47 58.65 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.241 -0.583 . . . . 0.0 110.879 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.507 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 5.3 mm-40 -58.2 -46.84 85.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.713 0.292 . . . . 0.0 111.538 -178.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 27.5 mt -69.38 -28.93 66.61 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.09 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 59' ' ' ARG . 21.6 ttt180 -65.1 -36.72 85.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.834 0.349 . . . . 0.0 110.86 174.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 28.8 mt-10 -82.55 -44.24 16.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.281 -177.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.438 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 76.8 mm-40 -91.52 -36.21 13.85 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -175.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.573 HD12 HD23 ' A' ' 58' ' ' LEU . 63.1 mt -110.09 3.85 20.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -174.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 55.6 21.87 30.07 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 114.914 0.725 . . . . 0.0 114.914 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.47 HG21 ' HA ' ' A' ' 98' ' ' LEU . 36.2 pt -122.83 144.55 31.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 118.105 0.952 . . . . 0.0 111.808 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.535 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 28.4 mt-10 -92.18 93.97 8.96 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 173.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.426 ' CB ' HD13 ' A' ' 58' ' ' LEU . . . -78.76 150.26 32.47 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.072 0.463 . . . . 0.0 111.938 -172.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.593 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 57.4 m -109.53 103.98 12.96 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 172.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.501 ' HA ' HG13 ' A' ' 91' ' ' VAL . 39.4 t -85.31 134.75 26.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.498 -175.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.677 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 177.34 74.87 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.221 -0.99 . . . . 0.0 112.596 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.677 ' HG2' ' O ' ' A' ' 69' ' ' GLY . 30.9 mm-40 173.04 103.74 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.122 1.369 . . . . 0.0 109.383 178.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -84.38 113.65 21.32 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 81.2 t -95.73 -70.17 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.801 0.334 . . . . 0.0 111.695 -176.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.98 168.84 22.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.975 0.417 . . . . 0.0 111.45 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.0 p -136.97 143.57 42.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.66 175.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -135.77 135.85 40.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.716 0.293 . . . . 0.0 110.468 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -109.23 145.62 35.58 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.435 0.636 . . . . 0.0 111.115 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -160.76 175.34 12.71 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -119.49 150.5 40.13 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.563 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.571 ' HB ' HD12 ' A' ' 84' ' ' ILE . 2.7 p -120.67 95.26 3.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.731 172.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.4 m 47.93 67.5 0.82 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.6 -177.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.7 -23.74 8.52 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 121.06 -0.59 . . . . 0.0 114.483 177.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.461 ' HB2' HG13 ' A' ' 79' ' ' VAL . 75.5 mtt180 -93.07 137.56 32.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.776 0.788 . . . . 0.0 110.158 -177.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mp -94.85 114.2 30.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.075 0.464 . . . . 0.0 110.562 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.589 HG21 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -90.79 138.29 19.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.81 178.615 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -118.95 100.79 7.59 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.231 -0.895 . . . . 0.0 108.902 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.452 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.5 mp -89.8 128.76 36.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.993 0.425 . . . . 0.0 111.294 -177.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -109.63 113.02 25.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.261 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.7 107.08 18.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.009 0.433 . . . . 0.0 110.711 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -107.01 130.41 54.65 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.427 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.537 ' NE2' ' HB3' ' A' ' 17' ' ' GLU . 14.8 t-80 -90.54 118.72 30.22 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.44 177.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.501 HG13 ' HA ' ' A' ' 68' ' ' VAL . 17.4 m -91.18 109.78 37.92 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-O 121.23 0.538 . . . . 0.0 109.98 177.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.593 ' HD2' ' O ' ' A' ' 67' ' ' THR . 56.0 Cg_endo -72.57 -11.99 26.63 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.666 2.244 . . . . 0.0 112.601 -178.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -155.62 150.81 26.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.243 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -147.15 138.37 23.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.697 174.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 33.1 t-80 -101.32 130.39 47.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.135 -178.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 109.36 -156.35 15.66 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.812 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.1 m -129.48 139.08 51.69 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.581 HD11 ' CZ2' ' A' ' 108' ' ' TRP . 0.7 OUTLIER -81.72 124.99 30.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.808 0.813 . . . . 0.0 111.394 -173.206 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 17.2 pt20 -138.3 137.72 37.7 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.716 -176.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.479 ' HB1' HD11 ' A' ' 106' ' ' LEU . . . -93.22 122.58 35.76 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -171.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -85.55 -77.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.515 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.438 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 42.5 mm-40 -79.35 -29.55 42.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.176 0.513 . . . . 0.0 111.264 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -81.78 157.14 24.6 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -178.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -93.41 -67.57 0.85 Allowed 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.337 -172.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.05 150.71 36.85 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.734 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.479 HD11 ' HB1' ' A' ' 100' ' ' ALA . 4.0 mp -123.16 130.21 52.46 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.412 HG12 ' CZ3' ' A' ' 37' ' ' TRP . 12.3 p -134.12 148.02 30.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.873 0.368 . . . . 0.0 111.171 -176.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.581 ' CZ2' HD11 ' A' ' 98' ' ' LEU . 22.2 m-90 -105.41 112.43 25.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.497 175.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.598 ' HG ' HD12 ' A' ' 24' ' ' LEU . 25.9 p -133.18 155.04 50.04 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.602 178.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.4 m -68.15 152.9 96.15 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.031 -178.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.579 ' O ' HD13 ' A' ' 127' ' ' LEU . 6.5 Cg_endo -49.32 -47.49 22.09 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.011 2.474 . . . . 0.0 112.788 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -64.84 -35.8 82.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.866 0.365 . . . . 0.0 111.193 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -74.43 -33.73 63.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.476 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.423 ' HB1' HD21 ' A' ' 24' ' ' LEU . . . -59.89 -39.97 87.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.557 -178.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.503 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -75.39 -11.97 60.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.989 0.423 . . . . 0.0 110.68 -176.138 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -80.48 -10.25 59.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.239 0.543 . . . . 0.0 110.321 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.616 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 36.9 m-85 -103.11 170.11 6.64 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.219 -174.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.616 ' HD2' ' HB3' ' A' ' 117' ' ' TYR . 62.0 Cg_endo -73.26 73.76 3.2 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.244 1.963 . . . . 0.0 112.496 -177.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.536 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 27.8 mt -81.02 149.01 29.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.68 175.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.602 ' HB1' ' OD1' ' A' ' 123' ' ' ASP . . . -65.25 154.78 86.53 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.863 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 120' ' ' ALA . 8.2 Cg_endo -50.2 -33.67 36.78 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.651 2.901 . . . . 0.0 114.13 -175.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.426 ' HB1' HD21 ' A' ' 86' ' ' LEU . . . -85.23 -21.89 28.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.781 0.324 . . . . 0.0 111.423 -176.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.602 ' OD1' ' HB1' ' A' ' 120' ' ' ALA . 1.7 m-20 -82.08 -23.83 35.55 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.819 -173.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.444 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 76.4 mt -62.71 -58.07 18.68 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.234 -177.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.444 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 19.1 Cg_endo -59.85 -24.53 76.38 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 122.477 2.118 . . . . 0.0 112.61 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.3 mt -76.35 -44.42 36.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.102 0.477 . . . . 0.0 110.033 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 111' ' ' PRO . 3.1 tm? -71.16 -37.54 72.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.068 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -50.76 -45.56 59.03 Favored 'General case' 0 N--CA 1.461 0.099 0 O-C-N 123.15 0.281 . . . . 0.0 111.03 175.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.485 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . . . -80.85 -17.19 51.53 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.673 -178.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -75.81 -48.04 23.27 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.1 ptm -67.34 -33.46 75.29 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.398 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.485 ' HB2' ' HA ' ' A' ' 129' ' ' ALA . . . -60.41 -39.7 88.35 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.93 0.395 . . . . 0.0 110.86 172.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.82 -37.73 85.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.581 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -79.15 -20.85 47.49 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -87.27 -37.35 17.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.968 0.413 . . . . 0.0 110.609 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.49 179.208 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.7 mttp . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 120.999 0.428 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 64.7 mtt -105.71 144.96 31.73 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.091 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.734 HD13 HG13 ' A' ' 79' ' ' VAL . 20.6 mt -106.42 115.5 48.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 173.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.53 113.33 24.98 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -171.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.566 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 99.4 t -124.22 127.91 73.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.097 0.475 . . . . 0.0 109.837 -175.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 m -98.88 131.26 46.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 176.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.34 131.93 55.26 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -177.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.51 ' HB1' HD22 ' A' ' 54' ' ' LEU . . . -102.13 119.95 39.65 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 121.113 0.482 . . . . 0.0 110.77 -175.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.559 HG12 ' CD2' ' A' ' 39' ' ' PHE . 4.5 mt -94.88 100.04 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.162 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 173.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.481 HD13 HD22 ' A' ' 23' ' ' LEU . 35.4 mt -91.73 101.73 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.528 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . 3.3 tm-20 -119.83 126.08 50.12 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.703 -173.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' A' ' 19' ' ' ASP . 16.3 tpt180 -149.2 143.73 26.11 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 177.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.453 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 18.1 t70 81.46 -22.49 0.26 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.374 0.67 . . . . 0.0 110.939 -174.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.04 5.55 28.74 Favored Glycine 0 N--CA 1.441 -0.975 0 N-CA-C 109.776 -1.329 . . . . 0.0 109.776 -163.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 4.7 mttp -114.32 145.79 41.32 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.177 -0.512 . . . . 0.0 109.884 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.1 mt -106.74 147.23 12.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.481 HD22 HD13 ' A' ' 16' ' ' ILE . 53.9 tp -89.09 122.63 32.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.239 0.543 . . . . 0.0 111.35 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.522 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 7.2 mp -111.9 138.82 48.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.93 178.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.26 114.82 22.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.302 0.572 . . . . 0.0 110.709 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.611 -175.454 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.638 0 N-CA-C 112.794 -0.123 . . . . 0.0 112.794 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.539 ' HA ' ' HG2' ' A' ' 118' ' ' PRO . 4.0 mp -86.99 153.89 21.2 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.215 0.531 . . . . 0.0 111.58 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -118.85 154.18 33.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.387 -174.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.699 ' HG3' ' HE1' ' A' ' 103' ' ' HIS . 10.4 pt-20 -156.12 161.99 40.29 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 172.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CD2' HG12 ' A' ' 15' ' ' ILE . 6.8 m-30 -82.14 145.75 29.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.939 0.4 . . . . 0.0 110.218 -176.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.53 164.76 26.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.293 -175.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.61 -136.76 4.89 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -178.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.05 175.38 34.86 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.383 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -78.23 150.66 33.41 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.4 t -91.77 126.34 44.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.381 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 42.8 mt-10 -97.41 135.68 21.67 Favored Pre-proline 0 C--N 1.319 -0.731 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 173.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.03 14.73 0.07 OUTLIER 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.548 2.832 . . . . 0.0 115.237 -168.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -102.2 -21.26 14.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.407 0.622 . . . . 0.0 110.641 173.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 14.6 pt-20 -109.85 152.36 25.87 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.758 -174.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.3 t -81.89 161.91 22.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.958 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -54.95 -40.68 70.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.725 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.521 ' O ' HG21 ' A' ' 55' ' ' VAL . 81.5 mtt180 -67.36 -40.79 85.83 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 110.012 178.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -67.31 -40.11 85.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.094 -175.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.69 -46.48 87.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.454 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.73 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 67.6 mt -59.97 -48.35 82.06 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.163 0.506 . . . . 0.0 110.337 177.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.521 HG21 ' O ' ' A' ' 51' ' ' ARG . 71.2 t -59.78 -46.58 93.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.527 -176.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.607 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 8.0 ppt_? -77.15 -40.13 46.67 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.342 -176.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.401 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 4.5 mm-40 -61.64 -40.76 96.01 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.168 -0.213 . . . . 0.0 111.399 177.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.73 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 40.7 mt -70.73 -29.06 65.21 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 120.262 -0.575 . . . . 0.0 109.847 176.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -66.24 -37.09 84.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.893 0.378 . . . . 0.0 110.674 173.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.607 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 31.2 mt-10 -81.11 -39.35 25.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.618 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.699 ' CD ' ' HB2' ' A' ' 102' ' ' GLU . 1.0 OUTLIER -84.51 -53.26 5.54 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.792 0.294 . . . . 0.0 111.792 179.057 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.721 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 25.2 mt -104.1 8.51 36.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.709 -167.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 46.64 31.71 5.32 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 114.986 0.755 . . . . 0.0 114.986 -175.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.538 HG12 ' HB2' ' A' ' 62' ' ' LEU . 42.3 pt -122.52 142.85 37.38 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 CA-C-N 118.167 0.984 . . . . 0.0 111.574 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -89.06 97.61 11.3 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.856 175.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.497 ' HB2' HG11 ' A' ' 91' ' ' VAL . . . -82.2 150.5 27.33 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.296 0.57 . . . . 0.0 111.873 -174.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.559 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 27.8 m -115.18 112.21 22.16 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.21 173.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.0 t -96.92 128.95 47.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.732 -175.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.85 64.67 0.1 OUTLIER Glycine 0 C--N 1.333 0.41 0 C-N-CA 119.856 -1.164 . . . . 0.0 114.036 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.471 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 11.5 pt-20 164.18 109.17 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.027 0.931 . . . . 0.0 109.827 177.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -79.5 127.02 31.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.124 -174.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.43 ' HA ' HD23 ' A' ' 133' ' ' LEU . 91.1 t -94.6 -70.04 0.65 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.309 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -167.96 -176.72 3.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.87 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.3 m -148.07 150.65 34.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.544 176.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -140.09 146.64 39.16 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -112.86 142.09 45.92 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.291 0.567 . . . . 0.0 111.235 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.592 ' HD3' ' HB2' ' A' ' 122' ' ' ALA . 28.2 ptt180 -145.08 160.29 41.63 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 176.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -108.61 142.0 39.71 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 119.091 -1.043 . . . . 0.0 110.137 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.734 HG13 HD13 ' A' ' 9' ' ' ILE . 2.1 p -112.32 93.22 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 174.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.3 m 36.54 66.84 0.36 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.677 -1.147 . . . . 0.0 112.551 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.6 -22.36 34.29 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 120.701 -0.761 . . . . 0.0 114.579 176.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.528 ' HD2' HD11 ' A' ' 9' ' ' ILE . 50.3 mtt180 -110.63 152.23 26.73 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 117.836 0.818 . . . . 0.0 110.493 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.434 ' N ' HD13 ' A' ' 83' ' ' ILE . 2.7 mp -102.48 113.27 38.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.694 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -86.07 134.14 28.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.15 0.5 . . . . 0.0 110.212 177.334 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -112.75 97.7 6.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.481 -177.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.566 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.9 mp -90.71 124.04 34.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.722 0.296 . . . . 0.0 111.247 -176.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -109.04 116.81 32.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.905 175.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -96.62 116.11 28.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.173 0.511 . . . . 0.0 111.203 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -116.76 147.53 41.97 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.252 175.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.528 ' NE2' ' HB3' ' A' ' 17' ' ' GLU . 10.0 t-160 -96.55 127.49 42.59 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 173.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.497 HG11 ' HB2' ' A' ' 66' ' ' ALA . 13.8 m -91.26 105.23 11.89 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-O 121.168 0.509 . . . . 0.0 109.689 174.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.559 ' HD2' ' O ' ' A' ' 67' ' ' THR . 26.0 Cg_endo -62.86 -22.23 73.7 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.767 2.312 . . . . 0.0 112.078 179.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -145.23 144.29 30.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.875 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -146.1 132.89 20.03 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.722 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -112.5 119.23 37.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.741 -176.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 131.67 -165.13 23.43 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.183 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.1 m -115.91 113.78 23.77 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.52 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -69.04 121.14 16.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.667 0.746 . . . . 0.0 111.086 -176.05 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.721 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 10.8 pt20 -132.92 167.76 19.66 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.286 -177.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.466 ' HB1' HD12 ' A' ' 106' ' ' LEU . . . -102.23 137.39 40.55 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.427 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.562 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 16.1 t60 -125.07 -58.14 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.699 ' HB2' ' CD ' ' A' ' 61' ' ' GLU . 6.4 mm-40 -85.29 -42.26 14.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.707 177.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.699 ' HE1' ' HG3' ' A' ' 38' ' ' GLU . 11.7 m-70 -86.11 -179.39 6.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.913 175.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -112.52 -69.8 0.84 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -172.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.25 162.49 14.03 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.342 -0.224 . . . . 0.0 110.593 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.522 ' HA ' ' O ' ' A' ' 24' ' ' LEU . 5.6 mp -137.93 136.8 37.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.027 0.441 . . . . 0.0 111.025 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.2 p -132.95 146.6 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.744 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -103.75 117.92 35.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.995 174.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 26.2 p -140.51 155.49 46.62 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.006 175.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.5 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 24.6 m -72.07 160.21 83.32 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 -177.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.5 ' HD2' ' HB3' ' A' ' 110' ' ' SER . 2.6 Cg_endo -46.94 -50.76 10.34 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.473 2.782 . . . . 0.0 113.596 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -67.75 -35.36 78.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.9 0.381 . . . . 0.0 110.692 -177.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.419 ' HA ' ' NE2' ' A' ' 116' ' ' GLN . 43.6 mm-40 -68.05 -38.87 82.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.734 177.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.57 -41.55 73.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.596 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.571 ' HG ' HD12 ' A' ' 127' ' ' LEU . 14.3 mt -72.9 -12.34 60.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.039 -176.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 113' ' ' GLU . 50.5 mt-30 -83.87 -11.96 56.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.017 0.437 . . . . 0.0 110.562 175.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.471 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 48.4 m-85 -89.64 164.43 29.25 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.335 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.539 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 42.9 Cg_endo -72.75 79.79 1.86 Allowed 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.324 2.016 . . . . 0.0 111.708 177.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.406 HD11 HD23 ' A' ' 115' ' ' LEU . 63.6 mt -89.75 152.88 21.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.423 178.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.467 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -66.24 155.85 86.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 176.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 120' ' ' ALA . 19.0 Cg_endo -59.37 -14.48 25.07 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.086 2.524 . . . . 0.0 113.698 -176.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.592 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -96.31 -26.38 15.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.544 0.211 . . . . 0.0 111.04 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.467 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 2.4 m-20 -78.25 -24.86 46.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.431 -175.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.459 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 81.4 mt -65.07 -58.79 11.55 Favored Pre-proline 0 CA--C 1.539 0.528 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.905 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.459 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 12.3 Cg_endo -57.9 -30.63 90.31 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 122.555 2.17 . . . . 0.0 112.775 178.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 95.9 mt -70.67 -38.58 73.79 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.139 0.495 . . . . 0.0 109.939 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.571 HD12 ' HG ' ' A' ' 115' ' ' LEU . 1.8 tm? -72.15 -39.5 68.7 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.748 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -52.21 -42.4 63.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.769 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.514 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -82.54 -19.29 38.9 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -73.1 -45.76 55.22 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 177.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.6 ptm -70.95 -31.19 67.7 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.505 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -61.23 -40.57 94.52 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 120.794 0.33 . . . . 0.0 110.996 172.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 72' ' ' VAL . 1.4 mp -66.71 -37.15 84.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.453 -177.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -81.6 -15.45 54.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.035 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.43 -37.18 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 111.036 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.648 178.926 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.734 ' HB2' ' HG2' ' A' ' 82' ' ' ARG . 85.8 mttt . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.6 mtt -101.93 130.47 48.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.523 0.677 . . . . 0.0 111.391 -175.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.646 ' HB ' HG23 ' A' ' 84' ' ' ILE . 41.4 mt -109.29 111.6 36.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 114.594 -1.184 . . . . 0.0 108.533 177.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -96.38 120.23 36.31 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -176.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.453 ' HB ' ' HG ' ' A' ' 86' ' ' LEU . 60.0 t -123.24 139.0 51.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -178.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.442 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 2.6 m -111.78 133.65 56.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-O 121.062 0.458 . . . . 0.0 110.421 175.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.25 131.51 55.89 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.485 ' HB2' HD23 ' A' ' 54' ' ' LEU . . . -102.93 119.17 38.38 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.17 0.51 . . . . 0.0 110.31 -177.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.427 HG22 ' CG2' ' A' ' 22' ' ' ILE . 5.3 mt -95.24 99.86 10.05 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 176.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.817 HG13 HD22 ' A' ' 23' ' ' LEU . 2.1 mm -82.8 102.81 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.492 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 41.9 tt0 -109.4 113.3 26.0 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.211 -176.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.432 ' NH1' ' HA ' ' A' ' 93' ' ' ASP . 10.6 tpt180 -124.84 123.13 39.28 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.111 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 63.66 18.2 10.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.667 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.64 4.7 60.47 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 9.6 mttp -117.29 149.72 39.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.787 0.327 . . . . 0.0 110.72 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.567 HG21 ' HE1' ' A' ' 39' ' ' PHE . 12.5 mt -105.02 144.44 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.951 -174.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.817 HD22 HG13 ' A' ' 16' ' ' ILE . 52.7 tp -86.39 123.05 31.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.223 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.584 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 42.7 mt -117.01 146.01 43.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.785 175.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.47 122.42 40.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.15 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.238 0.464 0 CA-C-O 121.524 0.678 . . . . 0.0 111.361 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.355 0 N-CA-C 111.882 -0.487 . . . . 0.0 111.882 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.576 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 7.7 mp -84.93 156.51 21.18 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.821 -0.689 . . . . 0.0 111.386 -178.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.584 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 42.5 m95 -113.61 146.82 39.13 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 175.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -135.51 161.43 35.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.599 0.238 . . . . 0.0 110.859 -173.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' HE1' HG21 ' A' ' 22' ' ' ILE . 94.8 m-85 -85.98 117.02 24.56 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 172.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.63 151.33 25.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.303 -176.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 168.2 -146.6 10.62 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.39 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.521 ' HA3' ' HG3' ' A' ' 57' ' ' GLU . . . 176.92 172.46 41.55 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.298 -0.953 . . . . 0.0 113.173 -178.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -78.19 148.83 33.86 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.841 0.353 . . . . 0.0 110.361 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.6 t -96.19 124.5 48.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.411 -175.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.508 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 45.4 mt-10 -79.24 132.88 61.61 Favored Pre-proline 0 N--CA 1.445 -0.697 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 169.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.45 -30.01 71.48 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.5 2.134 . . . . 0.0 112.256 -176.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -84.85 2.62 41.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.649 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.605 ' HB2' HE21 ' A' ' 52' ' ' GLN . 20.1 pt-20 -123.13 163.56 20.33 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 173.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.8 m -83.33 158.92 21.99 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.243 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -67.68 -39.35 84.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.475 ' O ' HG23 ' A' ' 55' ' ' VAL . 55.1 mtt180 -65.87 -36.33 83.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.3 0.572 . . . . 0.0 109.484 173.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.605 HE21 ' HB2' ' A' ' 48' ' ' GLU . 30.7 tt0 -71.68 -40.67 69.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.297 -174.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.35 -44.23 95.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.453 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.703 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 16.9 mt -60.65 -45.58 93.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.886 0.374 . . . . 0.0 110.982 175.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 51' ' ' ARG . 44.2 t -58.62 -43.89 88.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.8 -178.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.67 ' HD3' ' N ' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -74.87 -44.93 46.3 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.329 -179.449 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.67 ' N ' ' HD3' ' A' ' 56' ' ' ARG . 10.0 mm-40 -60.29 -42.03 94.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.594 0.235 . . . . 0.0 111.429 -178.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.703 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 35.9 mt -70.47 -33.57 71.41 Favored 'General case' 0 C--O 1.219 -0.52 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.769 178.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -64.79 -37.49 87.79 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.838 0.352 . . . . 0.0 110.792 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.643 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 30.3 mt-10 -84.56 -38.29 20.15 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.545 -177.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.433 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 71.9 mm-40 -85.31 -52.18 6.07 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.592 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 57.4 mt -93.24 -21.61 19.51 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.096 -172.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.68 22.13 60.51 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 119.96 -1.114 . . . . 0.0 111.325 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.422 HG12 ' HB2' ' A' ' 62' ' ' LEU . 44.4 pt -119.57 142.36 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.162 0.506 . . . . 0.0 111.094 -177.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.428 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 47.4 mt-10 -90.18 93.16 9.25 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 174.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.86 155.29 21.8 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.017 -172.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.635 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 31.2 m -113.29 112.61 24.01 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.21 174.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.0 t -94.09 121.86 45.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -124.14 -80.55 0.46 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.203 -0.998 . . . . 0.0 113.051 -174.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.798 ' HG2' ' HB3' ' A' ' 90' ' ' HIS . 2.0 pm0 -89.6 129.26 36.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.368 0.604 . . . . 0.0 112.253 -174.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -81.22 136.2 35.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.849 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.6 t -100.99 -70.96 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.56 162.13 41.55 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 120.248 -0.581 . . . . 0.0 112.031 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 70.5 m -130.33 146.16 51.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.962 176.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -135.17 139.63 44.73 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -108.59 146.26 33.6 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.278 0.561 . . . . 0.0 111.18 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -158.27 171.14 20.73 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 174.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.443 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 11.0 pt-20 -114.95 148.3 38.89 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.357 -0.937 . . . . 0.0 111.209 -177.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.577 ' HB ' HD12 ' A' ' 84' ' ' ILE . 2.7 p -122.98 95.12 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.101 175.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.1 m 48.53 65.42 1.35 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.057 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.67 2.69 88.46 Favored Glycine 0 CA--C 1.522 0.515 0 C-N-CA 121.173 -0.537 . . . . 0.0 114.211 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.734 ' HG2' ' HB2' ' A' ' 7' ' ' LYS . 78.4 mtm180 -117.39 146.47 43.41 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 117.402 0.601 . . . . 0.0 110.921 177.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.1 mp -101.33 115.04 42.32 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 120.817 0.342 . . . . 0.0 111.498 -176.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.646 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -92.94 139.06 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.732 175.652 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -125.42 100.56 6.54 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.718 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.453 ' HG ' ' HB ' ' A' ' 11' ' ' VAL . 7.1 mp -87.95 133.72 33.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.16 -178.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -116.35 115.24 25.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.167 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.479 ' HB3' HD22 ' A' ' 126' ' ' LEU . . . -89.8 110.15 21.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.99 0.424 . . . . 0.0 110.871 177.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -105.73 139.88 39.63 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.595 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.798 ' HB3' ' HG2' ' A' ' 70' ' ' GLU . 52.9 t-80 -85.04 121.01 27.2 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.15 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.475 ' HB ' ' HA ' ' A' ' 16' ' ' ILE . 61.6 t -96.37 99.77 5.89 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 174.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.635 ' HD2' ' O ' ' A' ' 67' ' ' THR . 31.4 Cg_endo -86.1 -11.56 6.36 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.955 2.437 . . . . 0.0 112.389 -174.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 11.7 t70 -158.41 146.24 18.24 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.423 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -148.93 146.09 27.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.443 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.428 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 59.9 t60 -107.74 120.87 43.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.983 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.03 -165.39 20.25 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.334 176.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 86.7 m -121.18 127.61 51.68 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.585 HD23 HD23 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -80.36 124.88 29.26 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.671 0.748 . . . . 0.0 111.055 -172.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.592 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 20.1 pt20 -128.05 155.84 43.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.523 -176.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -106.33 107.08 17.91 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.396 -0.522 . . . . 0.0 112.083 -176.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -80.48 -72.06 0.43 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.605 174.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.433 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 17.1 mm-40 -78.8 -18.97 53.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.925 -178.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -105.48 170.83 7.66 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -175.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -88.42 -74.25 0.47 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.201 -0.6 . . . . 0.0 111.752 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -127.22 168.24 14.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.139 -175.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.471 ' HB3' HD11 ' A' ' 23' ' ' LEU . 2.9 mm? -118.72 142.81 47.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.297 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.9 p -134.41 142.59 40.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.886 0.374 . . . . 0.0 110.776 174.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.495 ' CZ2' HD11 ' A' ' 98' ' ' LEU . 21.0 m-90 -104.09 110.67 22.94 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 175.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.7 p -134.42 154.31 51.45 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.884 -176.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.507 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 26.1 m -71.97 156.92 90.38 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.534 ' O ' HD11 ' A' ' 127' ' ' LEU . 52.0 Cg_exo -47.42 -54.9 4.46 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.274 2.649 . . . . 0.0 113.769 -176.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.432 ' CD ' ' H ' ' A' ' 112' ' ' GLU . 0.5 OUTLIER -72.82 -24.67 60.93 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.564 -174.562 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.507 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 42.2 mm-40 -66.88 -42.15 86.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.262 172.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 117' ' ' TYR . . . -57.32 -35.63 70.1 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.286 -177.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.583 ' HG ' HD13 ' A' ' 127' ' ' LEU . 18.4 mt -75.06 -11.77 60.17 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.634 -178.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -83.63 -12.97 55.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.292 0.568 . . . . 0.0 109.872 172.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.428 ' HB2' ' O ' ' A' ' 114' ' ' ALA . 27.8 m-85 -85.55 156.31 59.09 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.179 178.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.576 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 55.4 Cg_endo -70.89 81.53 1.09 Allowed 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.869 1.713 . . . . 0.0 111.419 176.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.54 HD12 HD22 ' A' ' 115' ' ' LEU . 79.7 mt -88.72 152.68 21.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.976 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.6 ' HB1' ' OD1' ' A' ' 123' ' ' ASP . . . -66.48 154.54 90.73 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.385 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -62.91 -8.23 13.29 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.685 2.257 . . . . 0.0 113.667 -175.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -98.74 -20.98 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.136 0.493 . . . . 0.0 110.37 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.6 ' OD1' ' HB1' ' A' ' 120' ' ' ALA . 1.6 m-20 -84.17 -27.9 27.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.765 -176.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.619 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 72.8 mt -62.98 -58.74 14.94 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.35 -176.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 9.3 Cg_endo -52.62 -34.46 63.49 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 122.896 2.397 . . . . 0.0 112.718 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.479 HD22 ' HB3' ' A' ' 88' ' ' ALA . 5.9 mp -70.52 -39.11 74.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.798 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.583 HD13 ' HG ' ' A' ' 115' ' ' LEU . 2.2 tm? -72.56 -38.58 67.92 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.619 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 38.8 mt-10 -53.6 -42.69 67.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.768 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.437 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -80.63 -20.2 43.66 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.317 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -73.1 -46.81 49.18 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.2 ptm -69.46 -32.57 71.57 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.799 175.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -57.04 -41.24 78.27 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-O 120.868 0.365 . . . . 0.0 110.899 172.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.7 -43.64 88.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.691 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -72.52 -18.36 61.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.817 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -92.45 -37.43 12.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.625 0.25 . . . . 0.0 111.671 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.302 -178.701 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 64.4 mtm -96.86 126.9 42.34 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.472 0.653 . . . . 0.0 110.593 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.49 HD11 ' CG1' ' A' ' 79' ' ' VAL . 23.0 mt -105.13 117.0 50.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.303 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -95.77 122.68 38.8 Favored 'General case' 0 C--N 1.306 -1.305 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.743 -178.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.6 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 93.1 t -124.7 124.85 68.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.441 ' CG2' ' HG ' ' A' ' 54' ' ' LEU . 2.5 m -99.16 131.3 46.69 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 CA-C-O 121.161 0.505 . . . . 0.0 110.368 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.55 129.05 55.6 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.479 ' HB1' HD22 ' A' ' 54' ' ' LEU . . . -101.11 113.59 26.75 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 121.166 0.507 . . . . 0.0 110.18 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.439 HG21 ' CG2' ' A' ' 22' ' ' ILE . 7.8 mt -88.89 99.66 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.216 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 176.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.834 HG13 HD21 ' A' ' 23' ' ' LEU . 2.2 mm -86.11 101.14 10.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -175.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.509 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 34.7 tt0 -103.22 113.28 26.64 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.882 -175.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -127.37 126.55 42.69 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.188 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 70.85 -0.71 2.91 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.722 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.35 -0.5 29.54 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.399 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 4.5 mtpt -111.64 155.74 22.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.715 0.293 . . . . 0.0 110.358 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.439 ' CG2' HG21 ' A' ' 15' ' ' ILE . 23.6 mt -104.5 146.91 11.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.302 -176.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.834 HD21 HG13 ' A' ' 16' ' ' ILE . 60.4 tp -88.96 119.85 29.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.318 -178.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.532 HD11 ' SG ' ' A' ' 109' ' ' CYS . 7.5 mp -114.02 137.66 51.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.861 177.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.36 120.36 37.93 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.107 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 . . . . . 0 C--N 1.325 -0.492 0 CA-C-O 121.164 0.507 . . . . 0.0 111.54 -177.328 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.239 0 CA-C-O 120.387 -0.118 . . . . 0.0 113.282 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.1 mt -76.53 148.31 37.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.806 0.336 . . . . 0.0 111.424 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -113.95 147.64 38.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.156 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -134.64 164.47 27.42 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -89.91 141.25 28.82 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.51 152.06 44.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.658 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.63 -145.39 11.03 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.033 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.79 177.7 38.78 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.379 -178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.49 ' HG2' ' N ' ' A' ' 44' ' ' VAL . 75.3 tttt -78.08 153.74 31.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.975 0.416 . . . . 0.0 110.765 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.49 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 47.0 t -109.4 126.76 66.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.793 176.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.54 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 9.1 tp10 -86.54 127.92 58.84 Favored Pre-proline 0 C--N 1.318 -0.803 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 169.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.502 ' HD2' ' OE2' ' A' ' 45' ' ' GLU . 8.7 Cg_endo -52.01 -15.53 3.45 Favored 'Trans proline' 0 CA--C 1.535 0.538 0 C-N-CA 123.073 2.515 . . . . 0.0 114.042 -175.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -79.05 -22.25 45.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.92 0.391 . . . . 0.0 111.186 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 13.8 pt-20 -108.26 163.97 12.72 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 177.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.4 m -87.08 154.29 20.87 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 -177.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -61.47 -41.01 96.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.295 -177.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.435 ' HB3' ' HB ' ' A' ' 68' ' ' VAL . 87.5 mtt180 -69.39 -33.32 72.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.917 0.389 . . . . 0.0 110.241 176.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -72.4 -40.79 66.94 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.468 -175.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -59.65 -43.84 93.74 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.422 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.699 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 15.8 mt -59.65 -44.05 93.68 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.001 0.429 . . . . 0.0 110.799 174.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.3 t -60.51 -42.23 90.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.23 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 53' ' ' ALA . 5.6 ppt_? -75.86 -42.88 48.15 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.109 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -60.25 -44.46 95.23 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.699 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 37.6 mt -68.3 -32.17 72.12 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.412 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.457 ' O ' ' HA2' ' A' ' 63' ' ' GLY . 32.2 ttt180 -63.41 -33.81 76.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.374 0.606 . . . . 0.0 110.57 178.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -89.04 -38.48 14.36 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.015 -176.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.621 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 63.9 mm-40 -85.65 -51.14 6.66 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.601 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.513 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 58.1 mt -94.52 -20.54 19.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.758 -174.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . 80.07 24.65 59.23 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.235 -0.983 . . . . 0.0 111.156 175.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.513 HD12 ' HB2' ' A' ' 94' ' ' PHE . 29.2 pt -124.86 146.31 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.397 0.618 . . . . 0.0 111.706 -176.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -90.23 98.58 11.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.091 174.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 94' ' ' PHE . . . -89.2 151.34 22.22 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.285 0.564 . . . . 0.0 112.183 -171.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.686 ' HB ' ' HB3' ' A' ' 93' ' ' ASP . 29.8 m -112.03 103.63 11.84 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.875 173.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.435 ' HB ' ' HB3' ' A' ' 51' ' ' ARG . 36.7 t -87.5 127.55 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.554 -175.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -125.19 -89.75 0.8 Allowed Glycine 0 CA--C 1.522 0.476 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.93 -172.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.544 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 5.9 pt-20 -91.41 133.82 35.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.557 0.694 . . . . 0.0 112.79 -169.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.633 ' OH ' ' HB2' ' A' ' 74' ' ' SER . 23.6 t80 -87.63 133.31 33.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.926 -1.033 . . . . 0.0 111.33 -174.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -94.26 -70.66 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.199 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -176.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -161.8 178.61 8.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.847 0.356 . . . . 0.0 111.672 -177.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.633 ' HB2' ' OH ' ' A' ' 71' ' ' TYR . 12.9 t -139.95 151.81 45.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.595 178.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -130.48 137.84 49.97 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -105.36 140.33 38.64 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.251 0.548 . . . . 0.0 111.276 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.46 ' HG3' HG13 ' A' ' 84' ' ' ILE . 19.3 ptt180 -155.86 175.12 14.36 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 176.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -119.05 151.64 37.88 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 119.639 -0.824 . . . . 0.0 111.692 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.578 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.7 p -123.34 95.03 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 170.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.5 p 46.2 70.84 0.34 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.872 -174.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.21 -23.08 5.56 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 121.176 -0.535 . . . . 0.0 114.21 176.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.434 ' HB2' HG13 ' A' ' 79' ' ' VAL . 85.5 mtt180 -92.36 130.81 37.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.356 -0.496 . . . . 0.0 110.574 -178.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.9 mp -90.26 116.5 31.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.981 0.419 . . . . 0.0 110.384 -174.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.578 HD11 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -91.17 134.4 29.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.77 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.55 97.47 6.46 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.088 -0.96 . . . . 0.0 108.55 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.6 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 5.6 mp -89.59 117.72 28.69 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.783 -176.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.476 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . 90.7 m-70 -101.52 114.49 28.55 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.112 -178.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.32 113.56 25.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.957 0.408 . . . . 0.0 109.934 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.21 138.81 43.86 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.15 -178.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.544 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 15.1 t-160 -84.83 108.34 17.45 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.3 t -91.51 106.02 15.12 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.815 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.495 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 70.9 Cg_endo -89.73 -14.07 2.53 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 123.084 2.523 . . . . 0.0 113.216 -176.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.686 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 38.5 t70 -145.54 137.61 25.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.995 0.426 . . . . 0.0 111.566 -174.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.513 ' HB2' HD12 ' A' ' 64' ' ' ILE . 49.9 p90 -149.72 143.47 25.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.815 177.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -119.19 120.69 37.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.564 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 128.54 -163.25 22.07 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.027 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.6 m -118.5 115.27 24.26 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.793 HD12 HD23 ' A' ' 106' ' ' LEU . 0.2 OUTLIER -68.53 126.18 28.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.051 -175.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.513 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.2 pt20 -128.92 163.05 26.13 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.495 -176.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.486 ' HB2' HD12 ' A' ' 106' ' ' LEU . . . -106.61 100.22 9.75 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.098 177.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -80.03 -74.39 0.31 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.858 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.621 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 5.5 mm-40 -82.93 -2.64 55.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.553 0.692 . . . . 0.0 110.719 178.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -111.07 161.06 16.29 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.033 -0.985 . . . . 0.0 108.446 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -96.65 -52.06 4.07 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.183 -176.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.99 159.44 24.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.206 -177.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.793 HD23 HD12 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -135.96 125.15 24.57 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.125 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.9 p -134.55 147.22 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.026 0.441 . . . . 0.0 111.726 -176.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 2.1 m0 -102.92 113.32 26.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.986 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.532 ' SG ' HD11 ' A' ' 24' ' ' LEU . 26.0 p -132.95 153.64 51.23 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 175.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.568 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 7.0 m -71.87 163.62 65.21 Favored Pre-proline 0 C--N 1.317 -0.821 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.087 -174.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.568 ' HD2' ' HB3' ' A' ' 110' ' ' SER . 6.4 Cg_endo -48.16 -55.31 4.15 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.28 2.653 . . . . 0.0 113.966 -175.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -29.87 67.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.985 0.421 . . . . 0.0 110.298 -177.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.4 ' O ' ' HD1' ' A' ' 117' ' ' TYR . 5.4 mm-40 -65.71 -42.68 90.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.503 176.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.37 -44.28 97.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.693 -176.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -73.13 -16.21 61.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.958 0.409 . . . . 0.0 110.565 -176.587 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -88.77 2.74 52.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.098 0.475 . . . . 0.0 110.746 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.4 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 8.9 m-85 -98.34 161.29 25.81 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.554 172.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.11 87.53 0.6 Allowed 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 121.885 1.723 . . . . 0.0 112.115 176.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 67.6 mt -94.64 153.42 17.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.575 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.526 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -65.78 153.68 90.53 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.689 177.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.86 -21.33 32.73 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.539 2.826 . . . . 0.0 114.153 -175.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.42 ' HB1' HD23 ' A' ' 86' ' ' LEU . . . -91.47 -26.86 18.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.987 0.422 . . . . 0.0 110.968 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.526 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.9 m-20 -79.94 -27.08 39.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.795 -175.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.652 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 83.2 mt -61.4 -60.13 11.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.098 -177.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.432 ' HD3' ' HB ' ' A' ' 124' ' ' ILE . 27.2 Cg_endo -61.27 -27.34 83.25 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.442 2.095 . . . . 0.0 112.633 -176.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 94.4 mt -71.34 -42.22 68.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.253 0.549 . . . . 0.0 109.794 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.533 ' HB3' HD23 ' A' ' 115' ' ' LEU . 2.9 tm? -74.01 -35.9 64.44 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.563 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.8 ' HA ' ' HE2' ' A' ' 131' ' ' MET . 36.3 mt-10 -54.9 -39.0 68.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 177.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.403 ' O ' HD22 ' A' ' 133' ' ' LEU . . . -79.53 -29.05 41.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.889 177.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -67.99 -45.05 75.21 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.8 ' HE2' ' HA ' ' A' ' 128' ' ' GLU . 27.1 ptt? -67.06 -33.44 75.51 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.606 175.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.76 83.48 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.718 0.294 . . . . 0.0 111.2 173.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.403 HD22 ' O ' ' A' ' 129' ' ' ALA . 3.0 mm? -63.36 -46.24 87.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.993 0.425 . . . . 0.0 110.343 179.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -72.37 -22.17 61.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.109 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -84.43 -36.26 22.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.192 0.52 . . . . 0.0 110.704 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.035 -179.38 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 mptt . . . . . 0 CA--C 1.515 -0.401 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 88.5 mtp -99.23 130.74 45.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.285 0.564 . . . . 0.0 110.218 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.665 ' HB ' HG22 ' A' ' 84' ' ' ILE . 44.1 mt -105.37 110.95 32.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -95.13 122.87 38.25 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -173.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.431 ' HB ' ' HG ' ' A' ' 86' ' ' LEU . 82.5 t -122.48 135.29 63.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -177.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.448 ' CG2' ' HG ' ' A' ' 54' ' ' LEU . 3.4 m -105.85 131.56 55.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.056 175.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.0 128.74 55.94 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.975 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.469 ' HB2' HD23 ' A' ' 54' ' ' LEU . . . -102.28 108.38 19.72 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.256 -177.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.424 HG22 ' CG2' ' A' ' 22' ' ' ILE . 6.9 mt -93.41 98.87 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.905 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 177.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.851 HG12 HG21 ' A' ' 91' ' ' VAL . 18.3 mt -92.34 106.18 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -175.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . 30.8 tt0 -112.99 129.67 56.41 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.617 -174.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -133.73 120.34 20.45 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 69.38 13.14 8.44 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.727 0.642 . . . . 0.0 111.723 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.6 6.24 54.92 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.141 -1.028 . . . . 0.0 112.5 -178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 12.2 mttp -115.79 142.77 46.31 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 176.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.424 ' CG2' HG22 ' A' ' 15' ' ' ILE . 32.6 mt -102.94 148.08 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.432 -175.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.551 HD11 ' HG ' ' A' ' 106' ' ' LEU . 40.9 tp -87.3 119.28 27.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.159 0.504 . . . . 0.0 111.162 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.0 mp -112.25 139.46 47.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.815 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.42 117.99 29.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.084 0.468 . . . . 0.0 111.162 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.595 -177.653 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.61 0 N-CA-C 112.154 -0.378 . . . . 0.0 112.154 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.418 ' HA ' ' HG2' ' A' ' 118' ' ' PRO . 6.1 mp -82.73 151.19 26.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.905 0.383 . . . . 0.0 111.279 176.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.4 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 45.9 m95 -118.65 152.49 35.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.649 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -147.38 166.63 26.58 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -81.49 151.83 27.62 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.24 169.45 18.31 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.332 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 146.09 -142.05 10.2 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.865 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.461 ' HA3' ' HG3' ' A' ' 57' ' ' GLU . . . 170.63 175.9 39.63 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.095 -178.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -78.29 153.49 31.73 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.787 0.327 . . . . 0.0 110.572 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.51 109.53 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.813 ' HG3' ' HD2' ' A' ' 46' ' ' PRO . 2.8 tp10 -85.63 150.13 52.99 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.813 ' HD2' ' HG3' ' A' ' 45' ' ' GLU . 30.3 Cg_endo -64.0 11.54 0.1 Allowed 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 122.942 2.428 . . . . 0.0 114.198 -177.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 45' ' ' GLU . 5.9 m-20 -115.08 11.19 16.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.076 0.465 . . . . 0.0 110.58 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -145.6 171.07 15.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.936 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.1 t -105.5 163.57 12.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.832 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -58.71 -49.01 79.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.503 -176.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.471 ' O ' HG21 ' A' ' 55' ' ' VAL . 52.1 mtt180 -60.27 -39.68 87.71 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.422 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -68.95 -42.04 77.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.117 -176.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.96 -48.99 79.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.999 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.715 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 24.3 mt -59.62 -46.81 87.88 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 121.001 0.429 . . . . 0.0 110.698 178.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.471 HG21 ' O ' ' A' ' 51' ' ' ARG . 43.3 t -59.52 -49.75 82.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.409 -177.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.51 ' HG3' ' N ' ' A' ' 57' ' ' GLU . 8.0 ptt180 -68.58 -44.0 75.34 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.356 -176.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.51 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 5.7 mm-40 -63.16 -41.34 99.24 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.177 -0.209 . . . . 0.0 111.44 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 30.5 mt -69.83 -33.87 72.9 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 120.409 -0.516 . . . . 0.0 109.843 177.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.464 ' HD2' ' OE2' ' A' ' 65' ' ' GLU . 19.1 ttt180 -58.07 -37.35 74.29 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.447 174.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -88.43 -37.39 15.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.695 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 27.7 mm-40 -87.51 -50.47 6.51 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.676 0.251 . . . . 0.0 111.676 -178.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.649 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 39.5 mt -103.38 7.36 38.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.581 -171.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 47.22 37.11 10.68 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 115.191 0.837 . . . . 0.0 115.191 -177.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.444 HD13 ' HB2' ' A' ' 94' ' ' PHE . 35.5 pt -131.6 145.89 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 118.116 0.958 . . . . 0.0 112.122 178.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.558 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 20.2 mm-40 -90.72 104.07 16.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 172.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.663 ' HB3' ' HH2' ' A' ' 89' ' ' TRP . . . -86.15 149.37 25.17 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.07 0.462 . . . . 0.0 111.847 -174.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 89.1 m -107.05 104.29 13.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.363 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.614 ' HA ' ' CZ2' ' A' ' 89' ' ' TRP . 30.8 t -84.15 133.2 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.772 -0.195 . . . . 0.0 110.764 -175.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 174.11 63.93 0.05 OUTLIER Glycine 0 C--N 1.336 0.556 0 C-N-CA 119.738 -1.22 . . . . 0.0 114.729 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 162.62 105.48 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.777 0.831 . . . . 0.0 110.581 176.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.675 ' HE1' ' HB3' ' A' ' 87' ' ' HIS . 48.0 t80 -86.73 130.14 34.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.198 -176.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.481 HG11 HD23 ' A' ' 133' ' ' LEU . 87.8 t -95.79 -71.25 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.19 -178.99 7.49 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.562 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.638 ' HB3' ' HH ' ' A' ' 71' ' ' TYR . 9.6 p -144.09 153.78 42.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.814 0.34 . . . . 0.0 110.996 177.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.402 ' HD1' ' HA ' ' A' ' 122' ' ' ALA . 16.9 t-80 -137.66 137.49 38.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.681 178.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -101.64 144.28 30.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.23 0.538 . . . . 0.0 111.47 176.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.606 ' HG3' HG13 ' A' ' 84' ' ' ILE . 27.1 ptt180 -153.94 174.13 15.04 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 171.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -124.13 151.57 43.79 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 119.629 -0.828 . . . . 0.0 111.214 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.582 ' HB ' HD12 ' A' ' 84' ' ' ILE . 2.7 p -121.67 94.39 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 173.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.4 m 48.51 70.03 0.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.747 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.61 -23.38 8.84 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 120.838 -0.696 . . . . 0.0 114.712 176.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -98.3 135.97 39.15 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 117.944 0.872 . . . . 0.0 110.94 -177.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.2 mp -93.39 113.16 27.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.932 0.396 . . . . 0.0 110.492 -172.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.665 HG22 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -90.98 135.51 26.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.27 178.023 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -124.06 100.61 6.81 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.976 -175.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.431 ' HG ' ' HB ' ' A' ' 11' ' ' VAL . 7.3 mp -88.21 130.15 35.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.509 -177.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.675 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . 35.3 m80 -109.63 114.16 27.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.689 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.67 120.89 31.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.045 0.45 . . . . 0.0 111.051 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.663 ' HH2' ' HB3' ' A' ' 66' ' ' ALA . 3.3 t90 -119.4 132.62 55.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.52 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.457 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 39.5 t-80 -85.03 127.07 34.05 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 176.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.851 HG21 HG12 ' A' ' 16' ' ' ILE . 41.9 t -87.82 109.9 30.76 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 120.694 0.283 . . . . 0.0 110.549 -174.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.457 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 55.7 Cg_endo -73.75 -35.43 4.51 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.762 2.308 . . . . 0.0 112.032 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -152.71 144.01 23.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.156 -175.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.444 ' HB2' HD13 ' A' ' 64' ' ' ILE . 41.1 p90 -143.52 134.6 25.63 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.273 177.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.558 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 56.2 t-80 -93.04 120.67 33.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.604 177.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.35 -156.72 15.46 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.312 176.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 89.1 m -128.11 139.12 52.69 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.443 HD13 ' H ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -76.86 125.28 29.03 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.49 0.662 . . . . 0.0 110.516 -174.563 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.649 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 20.9 pt20 -124.43 164.56 19.45 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.274 -0.875 . . . . 0.0 108.901 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.476 ' HB1' HD13 ' A' ' 106' ' ' LEU . . . -113.23 107.51 16.0 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.36 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.528 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 34.3 t-80 -86.08 -78.89 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.659 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.695 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 19.6 mm-40 -75.46 -42.83 52.24 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.298 0.571 . . . . 0.0 110.464 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.413 ' O ' ' HB3' ' A' ' 100' ' ' ALA . 59.3 m80 -74.34 152.71 39.54 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -94.23 -70.89 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -170.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -98.14 154.06 18.01 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 121.224 -0.191 . . . . 0.0 110.674 -176.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.551 ' HG ' HD11 ' A' ' 23' ' ' LEU . 1.1 tp -131.45 127.14 36.8 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -178.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.2 p -133.7 146.34 32.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.863 0.364 . . . . 0.0 111.48 -178.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.403 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 4.4 m-90 -105.29 119.36 38.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.774 170.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.461 ' HG ' ' HA ' ' A' ' 114' ' ' ALA . 26.0 p -137.94 156.19 48.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.807 0.336 . . . . 0.0 110.366 175.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.1 m -65.3 153.79 88.92 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.791 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.505 ' O ' HD13 ' A' ' 127' ' ' LEU . 1.6 Cg_endo -45.97 -52.93 6.36 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.372 2.715 . . . . 0.0 113.46 -176.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.33 -28.59 66.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.878 0.37 . . . . 0.0 110.928 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -71.78 -32.71 67.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.605 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.461 ' HA ' ' HG ' ' A' ' 109' ' ' CYS . . . -62.1 -42.36 99.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.226 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.613 HD11 HG22 ' A' ' 124' ' ' ILE . 0.2 OUTLIER -72.47 -15.36 61.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.022 -177.088 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -84.96 -5.41 59.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.034 0.445 . . . . 0.0 110.56 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -93.94 163.18 24.65 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.755 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.418 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 54.3 Cg_endo -72.06 77.69 1.93 Allowed 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.223 1.948 . . . . 0.0 112.188 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 72.3 mt -84.89 153.51 22.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.822 175.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.474 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -69.88 156.21 92.16 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.709 178.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 24.8 Cg_endo -61.32 -8.52 10.65 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.116 2.544 . . . . 0.0 113.327 -177.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.402 ' HA ' ' HD1' ' A' ' 75' ' ' HIS . . . -93.49 -33.36 13.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.871 0.367 . . . . 0.0 110.234 177.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.474 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 3.3 m-20 -81.9 -28.86 32.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.425 -173.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.613 HG22 HD11 ' A' ' 115' ' ' LEU . 93.7 mt -60.29 -57.27 27.89 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.681 -175.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 18.6 Cg_endo -61.39 -24.98 79.44 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.208 1.939 . . . . 0.0 112.719 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.1 mt -71.62 -41.11 69.27 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.074 0.464 . . . . 0.0 109.836 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.514 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.4 tm? -73.04 -39.53 65.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.072 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -53.92 -41.47 67.71 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.597 0.237 . . . . 0.0 111.076 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.453 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -81.43 -23.13 37.72 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.25 179.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.415 ' HE1' ' HB2' ' A' ' 90' ' ' HIS . 84.3 t80 -67.69 -48.6 66.12 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.0 ptm -71.83 -30.46 65.5 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.694 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.453 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -59.64 -40.97 89.38 Favored 'General case' 0 C--N 1.338 0.082 0 CA-C-O 120.838 0.351 . . . . 0.0 111.049 173.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.481 HD23 HG11 ' A' ' 72' ' ' VAL . 3.5 mp -64.64 -35.39 80.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -84.03 -23.41 30.93 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.569 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.14 -39.46 12.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.753 0.311 . . . . 0.0 111.175 -176.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.071 -179.233 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.2 tptp . . . . . 0 N--CA 1.451 -0.387 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.9 mtm -96.03 135.67 37.5 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.321 0.581 . . . . 0.0 110.484 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.491 ' HB ' HG21 ' A' ' 84' ' ' ILE . 28.4 mt -104.89 106.88 21.3 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 176.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -90.5 123.98 34.63 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -174.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.573 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 57.6 t -127.22 125.22 65.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.401 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 2.9 m -98.86 131.86 45.26 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 177.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.28 130.16 56.83 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.471 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.54 114.3 28.39 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.145 0.498 . . . . 0.0 109.944 -178.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.436 HG22 ' CG2' ' A' ' 22' ' ' ILE . 5.5 mt -92.23 98.3 8.21 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.275 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 176.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.453 HD11 HD21 ' A' ' 23' ' ' LEU . 44.9 mt -89.94 103.4 14.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.461 -0.79 . . . . 0.0 108.904 -177.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.504 ' HB3' ' HE2' ' A' ' 90' ' ' HIS . 3.7 tm-20 -118.07 126.69 52.77 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.959 -173.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -139.66 130.99 26.76 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.852 -1.067 . . . . 0.0 108.472 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 68.86 14.57 8.92 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.601 0.563 . . . . 0.0 112.015 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.65 8.72 63.57 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.309 -0.948 . . . . 0.0 111.725 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 mmtp -118.61 138.54 52.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.699 0.285 . . . . 0.0 110.255 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.476 ' O ' ' HA ' ' A' ' 108' ' ' TRP . 49.4 mt -104.11 149.61 7.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.322 -176.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.502 HD11 ' HB3' ' A' ' 106' ' ' LEU . 33.3 tp -87.06 115.66 24.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.084 0.469 . . . . 0.0 111.066 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.433 HD22 HD22 ' A' ' 119' ' ' LEU . 5.9 mp -111.06 135.4 51.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.367 176.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.23 122.45 43.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.698 0.285 . . . . 0.0 110.964 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.497 -177.74 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 112.578 -0.209 . . . . 0.0 112.578 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.442 ' CD1' ' HB2' ' A' ' 118' ' ' PRO . 2.3 mm? -74.57 147.13 41.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.918 0.39 . . . . 0.0 111.293 -177.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.507 ' HD1' ' HG2' ' A' ' 118' ' ' PRO . 65.7 m95 -113.71 145.02 41.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.763 177.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -139.78 155.73 47.14 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.408 ' HE1' HG22 ' A' ' 22' ' ' ILE . 93.0 m-85 -73.74 138.1 44.4 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 175.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.13 154.13 42.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.895 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 161.74 -133.63 3.22 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.406 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.73 174.32 36.59 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.134 -1.031 . . . . 0.0 113.314 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.5 tttm -77.87 149.8 34.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.958 0.409 . . . . 0.0 110.548 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.0 t -101.81 141.36 18.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.465 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.596 ' HG3' ' HD2' ' A' ' 46' ' ' PRO . 4.2 tp10 -110.0 148.29 37.98 Favored Pre-proline 0 C--N 1.319 -0.73 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.596 ' HD2' ' HG3' ' A' ' 45' ' ' GLU . 30.7 Cg_endo -64.78 10.81 0.13 Allowed 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 122.607 2.205 . . . . 0.0 112.631 174.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.513 ' H ' ' C ' ' A' ' 45' ' ' GLU . 10.6 t70 -98.54 -18.65 18.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.553 0.692 . . . . 0.0 109.869 178.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -129.69 164.81 23.14 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.675 -173.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.7 m -88.56 157.21 18.68 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -67.9 -33.91 75.61 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.458 -174.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.401 ' O ' HG22 ' A' ' 55' ' ' VAL . 46.2 mtt180 -70.12 -38.01 75.46 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -65.03 -37.63 88.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.83 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.13 -46.45 90.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.575 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.653 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 23.7 mt -61.89 -46.72 88.16 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.49 177.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 51' ' ' ARG . 53.5 t -56.94 -49.86 77.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.046 -178.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.556 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.1 ppt_? -70.04 -43.69 70.77 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.414 -178.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.71 -46.59 89.03 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 38.9 mt -66.4 -33.58 76.04 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.325 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -64.48 -33.43 75.88 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.845 0.355 . . . . 0.0 111.055 175.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 22.8 mt-10 -87.02 -34.91 19.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.395 -178.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.617 ' CD ' ' HB2' ' A' ' 102' ' ' GLU . 2.2 mt-10 -87.31 -53.76 4.66 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 178.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.771 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 34.8 mt -101.25 6.03 42.75 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.255 -168.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.79 24.48 33.48 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 121.118 -0.563 . . . . 0.0 114.052 -176.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.554 HG12 ' HB2' ' A' ' 62' ' ' LEU . 46.5 pt -126.15 135.72 62.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 117.619 0.71 . . . . 0.0 111.537 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 32.4 mt-10 -94.16 98.5 11.01 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 176.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.89 157.09 27.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.495 -171.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.438 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 56.9 m -107.42 105.95 16.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.278 -0.873 . . . . 0.0 108.66 174.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.0 t -79.33 129.5 37.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -137.51 -85.74 0.16 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.509 -0.853 . . . . 0.0 113.378 -177.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.583 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 5.8 pt-20 -88.56 126.06 35.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.775 0.798 . . . . 0.0 113.129 -169.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.41 ' HD1' ' CE2' ' A' ' 89' ' ' TRP . 14.1 t80 -77.74 132.15 37.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.793 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.401 HG13 ' HD1' ' A' ' 130' ' ' PHE . 92.8 t -97.04 -70.86 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.6 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -161.68 -177.15 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.837 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.9 m -149.18 156.16 41.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.737 0.303 . . . . 0.0 111.048 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.4 ' HD1' ' HA ' ' A' ' 122' ' ' ALA . 18.5 t-80 -141.0 145.1 35.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.498 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -109.8 142.37 41.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.259 175.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.652 ' HG3' HG13 ' A' ' 84' ' ' ILE . 27.4 ptt180 -151.8 173.77 14.36 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 172.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -124.63 151.71 44.53 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 119.3 -0.96 . . . . 0.0 112.147 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.523 ' HB ' HD11 ' A' ' 84' ' ' ILE . 3.2 p -124.19 94.76 2.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 114.812 -1.086 . . . . 0.0 108.63 172.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.0 m 51.87 66.64 1.14 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.848 -177.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.84 -20.54 6.35 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 120.724 -0.75 . . . . 0.0 114.246 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.459 ' HB2' HG12 ' A' ' 79' ' ' VAL . 90.5 mtt180 -92.36 132.32 36.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.458 0.629 . . . . 0.0 109.986 -178.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mp -92.57 113.94 28.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.704 0.288 . . . . 0.0 110.471 -174.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.652 HG13 ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -89.7 129.92 39.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.361 0.601 . . . . 0.0 109.951 177.458 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -119.12 99.5 6.76 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.81 -173.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.573 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.1 mp -91.38 127.78 36.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.61 -176.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -112.01 116.33 30.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.668 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.31 116.43 28.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.066 0.46 . . . . 0.0 111.246 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.41 ' CE2' ' HD1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -108.11 142.27 38.57 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.054 176.007 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.583 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 10.5 t-160 -91.69 120.69 32.67 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.3 t -90.25 112.42 52.55 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.277 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.438 ' HD2' ' O ' ' A' ' 67' ' ' THR . 61.4 Cg_endo -75.93 -30.73 5.64 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.906 2.404 . . . . 0.0 112.697 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -158.57 152.27 23.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.053 -176.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.444 ' HB2' ' HB ' ' A' ' 64' ' ' ILE . 34.6 p90 -140.39 139.41 35.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.332 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.533 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 18.9 t60 -91.1 119.69 31.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.302 175.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.99 -164.54 12.23 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.624 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.6 m -122.55 126.24 47.36 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.58 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -76.2 124.06 26.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.986 0.898 . . . . 0.0 111.979 -171.417 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.771 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 10.4 pt20 -135.57 167.43 21.11 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.469 -1.241 . . . . 0.0 109.327 -177.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -105.64 126.43 52.14 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.07 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.555 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 68.7 t60 -113.93 -62.67 1.56 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.49 177.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.617 ' HB2' ' CD ' ' A' ' 61' ' ' GLU . 14.3 mm-40 -81.99 -33.08 30.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.267 0.556 . . . . 0.0 109.724 177.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -87.63 171.84 10.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.455 173.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.44 HE21 ' HB2' ' A' ' 104' ' ' GLN . 6.8 tt0 -96.48 -67.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -174.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -124.26 162.67 23.23 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.253 -0.179 . . . . 0.0 110.922 -177.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.502 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.8 mm? -120.08 138.53 53.49 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.1 p -131.42 135.43 59.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 171.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.476 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 1.4 p90 -107.41 115.06 29.49 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.505 0.669 . . . . 0.0 110.194 176.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.427 ' SG ' HD11 ' A' ' 24' ' ' LEU . 12.0 p -145.04 156.72 44.09 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.884 -175.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 p -72.22 160.59 82.33 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -175.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.516 ' O ' HD12 ' A' ' 127' ' ' LEU . 7.1 Cg_endo -50.15 -41.29 50.0 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 123.006 2.47 . . . . 0.0 113.239 -178.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.07 -37.76 88.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.359 . . . . 0.0 110.826 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.437 ' O ' ' HD1' ' A' ' 117' ' ' TYR . 14.0 mm-40 -72.34 -41.59 66.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.75 178.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.22 -37.75 75.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.755 -173.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.519 HD23 HD11 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -75.81 -9.91 58.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.695 0.283 . . . . 0.0 111.438 -177.143 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -95.85 1.43 53.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.141 0.496 . . . . 0.0 110.419 174.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.437 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 25.6 m-85 -91.66 158.21 40.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.269 173.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.507 ' HG2' ' HD1' ' A' ' 37' ' ' TRP . 42.0 Cg_endo -69.14 75.32 0.96 Allowed 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.254 1.969 . . . . 0.0 112.229 176.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.433 HD22 HD22 ' A' ' 24' ' ' LEU . 65.2 mt -81.06 152.59 27.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.089 176.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.519 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -69.95 158.91 86.11 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.52 177.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.475 ' HD2' ' HB2' ' A' ' 120' ' ' ALA . 14.1 Cg_endo -57.19 -15.4 18.17 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.181 2.587 . . . . 0.0 113.278 -178.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.489 ' HB1' ' HD3' ' A' ' 77' ' ' ARG . . . -93.05 -28.63 16.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.82 0.343 . . . . 0.0 110.807 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.519 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 2.2 m-20 -82.2 -28.33 32.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.292 -174.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.441 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 79.6 mt -60.41 -58.42 19.49 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.976 -176.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.441 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 20.2 Cg_endo -60.67 -27.91 85.64 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.557 2.171 . . . . 0.0 112.801 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 90.0 mt -70.79 -43.89 67.75 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.19 0.519 . . . . 0.0 109.869 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.536 HD13 ' O ' ' A' ' 127' ' ' LEU . 2.8 tm? -73.55 -36.38 65.62 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.843 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -55.24 -41.8 72.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 0.0 110.833 176.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.75 -26.56 49.96 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.472 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.401 ' HD1' HG13 ' A' ' 72' ' ' VAL . 54.2 t80 -67.64 -44.57 77.62 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 15.6 ptp -67.15 -38.25 85.18 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -55.17 -43.73 74.58 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.145 0.498 . . . . 0.0 111.159 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.8 mp -63.91 -33.48 75.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.644 -177.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 134' ' ' ARG . 29.4 mtp180 -93.06 -20.86 20.13 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -176.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -95.44 -40.48 9.46 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.384 -178.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.295 178.84 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? . . . . . 0 CA--C 1.519 -0.214 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.1 mtp -102.97 138.2 40.16 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.797 0.808 . . . . 0.0 112.123 -175.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' A' ' 84' ' ' ILE . 35.2 mt -112.99 112.81 42.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 114.297 -1.32 . . . . 0.0 108.434 176.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -98.18 122.21 41.05 Favored 'General case' 0 C--N 1.31 -1.135 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.934 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.653 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 93.1 t -124.09 121.64 62.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -175.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.43 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -99.13 133.58 41.31 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.307 -179.497 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.59 126.31 54.05 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.443 ' HB1' HD23 ' A' ' 54' ' ' LEU . . . -102.99 119.17 38.37 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.204 0.526 . . . . 0.0 110.158 -177.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.415 HG21 HG23 ' A' ' 22' ' ' ILE . 5.6 mt -89.55 101.82 12.49 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.628 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 3.1 mm -83.32 107.43 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -177.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 18.0 tt0 -113.26 112.09 23.15 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.369 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.407 ' HG3' ' OD1' ' A' ' 19' ' ' ASP . 5.2 tpm_? -126.6 118.69 25.34 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.407 ' OD1' ' HG3' ' A' ' 18' ' ' ARG . 4.4 m-20 69.77 20.96 6.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.914 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.26 3.52 69.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.341 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 8.2 mttp -114.59 144.22 43.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.746 0.308 . . . . 0.0 110.857 -179.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.628 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 19.8 mt -103.55 145.11 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.537 -174.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.906 ' HG ' HD22 ' A' ' 106' ' ' LEU . 18.5 tp -86.03 110.11 19.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.977 -177.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.611 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 29.2 mt -103.83 135.32 45.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.943 175.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.604 ' HA ' ' O ' ' A' ' 105' ' ' ALA . . . -116.32 128.7 55.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.68 0.276 . . . . 0.0 111.592 -178.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.117 176.8 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 120.066 -0.297 . . . . 0.0 113.486 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.497 HD11 ' HB2' ' A' ' 118' ' ' PRO . 1.5 mm? -75.49 146.4 40.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 117.584 0.692 . . . . 0.0 110.709 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.611 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 30.6 m95 -118.51 154.06 33.15 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -138.69 172.24 13.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.534 -176.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.439 ' HE1' HG23 ' A' ' 22' ' ' ILE . 97.7 m-85 -90.35 119.08 30.35 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 168.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.71 148.74 23.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.657 -176.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.06 -129.94 1.97 Allowed Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.484 ' HA3' ' OE2' ' A' ' 57' ' ' GLU . . . 160.21 -149.64 19.2 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.637 178.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -113.09 149.82 32.95 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.95 0.405 . . . . 0.0 110.436 -174.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.6 t -95.47 117.81 40.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.972 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.581 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 22.7 mm-40 -79.87 146.55 64.33 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 175.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.21 -5.97 10.61 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.433 2.089 . . . . 0.0 112.114 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -93.34 -16.56 24.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.361 0.6 . . . . 0.0 110.579 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.581 ' HG2' ' HB2' ' A' ' 45' ' ' GLU . 23.4 pt-20 -127.31 160.18 32.15 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.467 -172.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 m -81.56 165.4 21.17 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.908 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -63.34 -43.65 97.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.657 0.265 . . . . 0.0 111.176 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.463 ' O ' HG22 ' A' ' 55' ' ' VAL . 54.1 mtm180 -70.04 -34.01 72.69 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -66.56 -41.65 88.29 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -57.77 -51.06 71.12 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.208 177.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.701 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 20.3 mt -58.26 -46.98 85.01 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 111.176 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 51' ' ' ARG . 54.8 t -58.31 -44.02 87.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.122 -177.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.602 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 8.3 ppt_? -78.0 -40.12 40.09 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.149 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.484 ' OE2' ' HA3' ' A' ' 42' ' ' GLY . 6.5 mm-40 -57.02 -45.6 82.99 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.956 0.408 . . . . 0.0 110.852 176.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 37.9 mt -70.4 -30.71 67.67 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.252 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 59' ' ' ARG . 23.1 ttt180 -62.71 -38.21 89.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.029 0.442 . . . . 0.0 110.512 173.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 26.6 mt-10 -80.49 -43.55 20.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.557 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 5.7 mm-40 -92.12 -33.03 14.92 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -174.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.67 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 64.1 mt -114.26 4.34 15.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -174.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.41 27.92 26.7 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 114.542 0.577 . . . . 0.0 114.542 -175.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.449 HG23 ' HA ' ' A' ' 98' ' ' LEU . 46.3 pt -129.64 141.75 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-N 117.984 0.892 . . . . 0.0 111.088 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 33.7 mt-10 -93.26 96.93 10.29 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 171.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.402 ' O ' HG21 ' A' ' 55' ' ' VAL . . . -78.19 158.35 29.05 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.146 0.498 . . . . 0.0 111.373 -174.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.63 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 26.4 m -111.38 105.96 14.75 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.33 129.48 45.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -175.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.21 62.19 0.12 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 119.704 -1.236 . . . . 0.0 113.481 -176.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.582 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 12.9 pt-20 165.39 147.24 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.297 0.639 . . . . 0.0 110.299 -177.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -104.51 124.57 49.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.249 -171.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.403 HG13 ' HA ' ' A' ' 130' ' ' PHE . 91.9 t -94.5 -70.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.479 -0.489 . . . . 0.0 111.0 171.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.468 ' HB2' ' HB1' ' A' ' 129' ' ' ALA . . . -163.34 173.5 13.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.182 178.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.8 m -136.12 148.76 48.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.127 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -139.7 133.5 30.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.008 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.486 ' HG2' ' HA ' ' A' ' 85' ' ' HIS . 24.3 mt-30 -115.27 144.51 43.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.382 0.61 . . . . 0.0 111.763 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -157.11 175.19 14.4 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -118.73 152.71 35.64 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.439 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.598 ' HB ' HD12 ' A' ' 84' ' ' ILE . 2.6 p -120.95 93.7 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 170.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.5 m 46.46 65.61 1.16 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.258 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.13 -23.19 22.31 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.972 -0.633 . . . . 0.0 113.935 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.532 ' HB2' HG11 ' A' ' 79' ' ' VAL . 48.5 mtt180 -93.64 130.06 39.7 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.194 -0.592 . . . . 0.0 110.251 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.06 115.78 30.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.087 0.47 . . . . 0.0 110.378 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.598 HD12 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -92.19 130.59 41.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.81 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.486 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 12.4 t-80 -114.32 101.29 9.03 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.421 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.653 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.1 mp -93.29 119.29 32.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.858 0.361 . . . . 0.0 110.409 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -111.63 115.29 28.9 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.58 113.19 24.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -106.38 149.94 26.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.413 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.582 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 16.2 t-80 -103.03 134.47 46.42 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 176.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.524 HG22 HD11 ' A' ' 16' ' ' ILE . 16.3 m -99.76 103.43 21.76 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-O 121.219 0.533 . . . . 0.0 111.088 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.63 ' HD2' ' O ' ' A' ' 67' ' ' THR . 20.6 Cg_endo -62.29 -21.92 73.35 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 123.223 2.615 . . . . 0.0 113.039 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -158.74 172.49 18.16 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 111.147 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.59 166.12 33.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.37 178.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.572 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 17.1 t60 -126.42 119.36 27.06 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.12 -157.48 14.93 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.737 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.7 m -126.14 131.13 52.12 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.492 ' H ' ' HG ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -76.11 118.18 18.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.605 0.716 . . . . 0.0 111.456 -171.863 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.67 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 3.2 pt20 -125.68 166.3 17.02 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.613 -1.176 . . . . 0.0 108.993 -179.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.806 ' HB2' ' O ' ' A' ' 103' ' ' HIS . . . -109.52 116.1 31.15 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.204 -176.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.557 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 20.6 t-80 -91.33 -82.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.648 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.428 ' HG3' ' ND1' ' A' ' 101' ' ' HIS . 27.9 mt-10 -97.54 9.21 43.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.465 0.65 . . . . 0.0 111.54 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.806 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 22.7 m-70 -120.83 105.6 10.87 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 175.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -58.67 -38.69 78.74 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -155.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.604 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -133.9 156.75 47.55 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.627 -175.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.906 HD22 ' HG ' ' A' ' 23' ' ' LEU . 68.5 mt -134.12 128.45 34.15 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.3 p -124.46 141.24 45.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 20.2 m-90 -99.0 110.09 22.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.092 0.472 . . . . 0.0 109.745 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.455 ' HB2' ' HB2' ' A' ' 113' ' ' GLU . 7.5 p -133.46 148.0 51.72 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.93 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.488 ' HB2' ' HD2' ' A' ' 111' ' ' PRO . 12.6 p -74.52 163.31 69.14 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -177.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.488 ' HD2' ' HB2' ' A' ' 110' ' ' SER . 3.1 Cg_endo -46.75 -43.37 23.59 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.973 2.449 . . . . 0.0 112.746 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.01 -40.61 82.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.174 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 109' ' ' CYS . 30.4 mm-40 -70.69 -37.98 73.65 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.67 0.271 . . . . 0.0 110.877 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.87 85.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.9 -176.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.478 HD22 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -71.67 -15.98 62.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.593 -176.17 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -82.98 -11.32 58.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.005 0.431 . . . . 0.0 110.706 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -86.89 164.19 37.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.024 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.497 ' HB2' HD11 ' A' ' 36' ' ' LEU . 58.9 Cg_endo -72.53 73.26 2.86 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.349 2.033 . . . . 0.0 112.321 178.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 72.4 mt -81.4 152.84 27.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.284 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.51 ' HB1' ' OD1' ' A' ' 123' ' ' ASP . . . -65.71 150.2 96.51 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 174.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.69 -12.73 22.7 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.784 2.323 . . . . 0.0 113.302 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -87.24 -25.52 23.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.888 0.375 . . . . 0.0 110.311 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.51 ' OD1' ' HB1' ' A' ' 120' ' ' ALA . 1.4 m-20 -85.38 -24.1 27.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.027 -174.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.542 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 45.9 mm -60.8 -58.13 21.48 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.116 -176.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 12.1 Cg_endo -57.66 -26.16 71.37 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 122.478 2.118 . . . . 0.0 112.632 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.6 mt -73.79 -39.42 64.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.334 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 127' ' ' LEU . 3.2 tm? -76.82 -38.11 54.49 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 38.0 mt-10 -51.29 -42.42 61.12 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 176.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' A' ' 73' ' ' ALA . . . -82.66 -19.76 37.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.566 -178.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.403 ' HA ' HG13 ' A' ' 72' ' ' VAL . 90.3 t80 -70.16 -48.65 56.43 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.3 ptm -69.31 -33.02 72.52 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.424 177.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.46 ' HB1' ' HA ' ' A' ' 129' ' ' ALA . . . -61.3 -44.66 96.85 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.835 0.35 . . . . 0.0 111.144 174.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 mp -66.18 -33.93 76.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.982 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -83.08 -23.68 33.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.488 -178.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.51 -35.86 14.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.879 0.371 . . . . 0.0 111.059 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.294 -177.767 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.723 0.297 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.3 mtp -101.7 127.42 48.46 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.276 0.56 . . . . 0.0 110.035 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.623 ' HB ' HG22 ' A' ' 84' ' ' ILE . 55.1 mt -108.63 116.26 51.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.09 -176.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -94.04 122.3 36.41 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.544 ' HB ' ' HG ' ' A' ' 86' ' ' LEU . 97.1 t -124.36 136.83 59.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.407 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 2.7 m -110.59 134.99 51.05 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-O 120.951 0.405 . . . . 0.0 110.156 176.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.63 133.43 55.86 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.471 ' HB1' HD23 ' A' ' 54' ' ' LEU . . . -102.5 118.39 36.76 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.052 0.453 . . . . 0.0 110.663 -177.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.423 HG21 HG21 ' A' ' 22' ' ' ILE . 4.6 mt -95.85 99.99 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.161 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 176.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.539 HG12 HG21 ' A' ' 91' ' ' VAL . 30.3 mt -88.47 102.04 12.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.092 -176.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.488 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 19.0 tt0 -106.66 111.8 24.5 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -176.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.401 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 3.2 tpt180 -119.75 113.66 20.96 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.303 178.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 61.65 31.52 18.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.751 -178.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.14 9.35 67.58 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.156 -1.021 . . . . 0.0 112.874 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 9.6 mttp -121.3 141.08 51.26 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.623 -0.34 . . . . 0.0 110.149 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.482 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 21.6 mt -102.98 147.88 8.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -176.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.494 HD22 HD12 ' A' ' 16' ' ' ILE . 40.7 tp -90.19 121.59 32.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.27 0.557 . . . . 0.0 111.062 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.534 ' HG ' ' HE1' ' A' ' 39' ' ' PHE . 7.2 mp -112.13 136.69 51.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.085 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.83 115.46 25.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.992 0.425 . . . . 0.0 110.521 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.452 ' HA ' ' HA ' ' A' ' 37' ' ' TRP . 35.7 tt0 . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.018 -175.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 113.971 0.349 . . . . 0.0 113.971 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.49 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 5.8 mp -75.48 146.48 40.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.021 0.438 . . . . 0.0 111.476 -177.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.452 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 59.5 m95 -112.74 151.31 30.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.962 -178.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -140.17 150.21 43.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.105 173.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.534 ' HE1' ' HG ' ' A' ' 24' ' ' LEU . 10.1 m-30 -77.83 129.85 35.94 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 172.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.55 158.54 29.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.212 0.529 . . . . 0.0 111.868 -172.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.98 -141.84 7.26 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -177.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.25 174.82 38.05 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.701 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -78.88 151.85 31.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.9 0.381 . . . . 0.0 110.235 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.1 t -98.66 131.72 45.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.553 ' HG3' ' HD2' ' A' ' 46' ' ' PRO . 3.4 tp10 -93.64 143.14 26.09 Favored Pre-proline 0 C--N 1.316 -0.856 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 173.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.553 ' HD2' ' HG3' ' A' ' 45' ' ' GLU . 37.5 Cg_endo -66.18 14.67 0.11 Allowed 'Trans proline' 0 N--CA 1.478 0.605 0 C-N-CA 123.013 2.475 . . . . 0.0 113.513 -177.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.466 ' H ' ' C ' ' A' ' 45' ' ' GLU . 15.8 t70 -109.92 -15.76 14.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.357 0.598 . . . . 0.0 110.881 176.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 18.0 pt-20 -118.7 171.65 8.05 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.996 -174.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.9 t -90.26 156.89 17.97 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -65.73 -43.26 89.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.154 -175.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.45 ' HB3' ' HB ' ' A' ' 68' ' ' VAL . 42.9 mtm180 -72.34 -27.68 62.57 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.444 177.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -69.13 -38.2 78.72 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.37 -42.89 99.44 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.445 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.642 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 31.6 mt -62.69 -46.86 86.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.038 0.447 . . . . 0.0 110.815 176.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.1 t -58.96 -43.25 88.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.431 -177.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 57' ' ' GLU . 14.7 ptt85 -73.33 -44.8 58.2 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.958 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 4.9 mm-40 -61.26 -43.07 99.48 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -177.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.642 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 55.4 mt -68.21 -32.45 72.67 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.583 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -65.82 -35.46 80.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.233 0.539 . . . . 0.0 110.939 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -86.75 -34.15 19.72 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.119 -176.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.627 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 67.8 mm-40 -88.22 -52.01 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.573 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 49.9 mt -102.17 5.77 40.43 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -171.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 55.76 22.29 32.81 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 114.591 0.596 . . . . 0.0 114.591 -176.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.496 HG21 HD23 ' A' ' 98' ' ' LEU . 38.2 pt -122.93 142.12 40.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 117.91 0.855 . . . . 0.0 112.245 -177.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.402 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 29.4 mt-10 -89.68 103.3 15.96 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.623 174.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.86 153.35 18.3 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.073 0.463 . . . . 0.0 111.685 -174.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.596 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 30.3 m -114.73 104.39 11.92 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.03 174.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.565 ' HA ' HG12 ' A' ' 91' ' ' VAL . 12.0 t -85.14 126.81 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.439 -174.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -128.43 -84.96 0.45 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.096 -1.049 . . . . 0.0 113.715 -173.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.592 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 7.9 pt-20 -84.07 130.39 34.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.578 0.704 . . . . 0.0 112.061 -169.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -79.15 131.74 36.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.368 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.414 HG12 HD22 ' A' ' 133' ' ' LEU . 92.7 t -97.56 -70.45 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 120.677 0.275 . . . . 0.0 111.292 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -162.19 178.41 8.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.536 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.7 t -144.44 152.39 40.57 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -135.46 139.27 43.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.755 0.312 . . . . 0.0 110.603 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -101.16 140.36 35.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.387 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.504 ' HG3' HG13 ' A' ' 84' ' ' ILE . 5.5 ptm180 -158.41 175.48 13.65 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 174.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 6.9 pt-20 -118.73 150.41 39.82 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.062 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.623 ' HB ' HD11 ' A' ' 84' ' ' ILE . 3.2 p -120.51 94.43 3.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.432 -0.804 . . . . 0.0 108.847 170.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m 49.19 60.75 3.53 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.928 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.91 -12.28 67.94 Favored Glycine 0 CA--C 1.522 0.496 0 C-N-CA 120.653 -0.784 . . . . 0.0 114.296 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.513 ' HB2' HG11 ' A' ' 79' ' ' VAL . 83.9 mtt180 -102.95 134.28 46.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.69 0.745 . . . . 0.0 110.312 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mp -93.37 110.41 23.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.079 0.466 . . . . 0.0 110.815 -174.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.623 HG22 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -94.22 141.55 14.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.462 0.649 . . . . 0.0 111.712 -179.673 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -123.72 98.59 5.89 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.178 176.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.544 ' HG ' ' HB ' ' A' ' 11' ' ' VAL . 6.7 mp -90.09 127.67 36.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.043 -175.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -108.11 116.22 31.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.989 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.08 113.58 25.57 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.968 0.413 . . . . 0.0 110.342 177.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.75 138.66 49.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.784 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.592 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 6.6 t60 -88.4 115.76 26.14 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.565 HG12 ' HA ' ' A' ' 68' ' ' VAL . 16.2 m -94.16 108.5 36.18 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 121.082 0.467 . . . . 0.0 110.24 176.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.596 ' HD2' ' O ' ' A' ' 67' ' ' THR . 72.2 Cg_endo -77.65 -13.33 16.37 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.733 2.289 . . . . 0.0 112.681 -178.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.587 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 10.1 t70 -139.79 140.16 36.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.152 0.501 . . . . 0.0 111.058 -176.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -150.1 134.63 17.42 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.28 176.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 43.1 t-80 -114.49 119.35 36.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.274 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.62 -169.11 23.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.435 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 26.6 m -116.98 124.07 48.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.962 0.41 . . . . 0.0 110.419 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.496 HD23 HG21 ' A' ' 64' ' ' ILE . 4.0 mt -57.19 123.98 17.19 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.452 -177.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.573 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.9 pt20 -140.79 156.21 46.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.347 177.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.45 ' HB1' HD11 ' A' ' 106' ' ' LEU . . . -107.06 101.46 10.88 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -77.92 -72.36 0.37 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.125 0.488 . . . . 0.0 110.582 173.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.627 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 1.8 mm-40 -85.29 11.14 10.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.294 0.569 . . . . 0.0 111.283 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -129.78 172.67 11.41 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.087 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -99.88 -75.78 0.56 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.864 0.364 . . . . 0.0 111.191 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.2 158.22 23.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.62 -177.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.474 HD23 HD21 ' A' ' 62' ' ' LEU . 9.1 mp -123.7 137.76 54.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.085 178.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.9 p -135.0 147.28 29.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.079 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.415 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 36.0 p90 -113.51 116.56 29.76 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.429 175.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 26.2 p -139.73 156.98 46.49 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.487 -176.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.524 ' OG ' ' HD2' ' A' ' 111' ' ' PRO . 8.5 t -67.51 150.68 97.73 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -177.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.553 ' O ' HD11 ' A' ' 127' ' ' LEU . 1.3 Cg_endo -46.67 -48.87 13.08 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.664 2.909 . . . . 0.0 114.208 -175.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.77 -30.39 67.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.738 0.304 . . . . 0.0 110.278 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.444 ' HA ' ' NE2' ' A' ' 116' ' ' GLN . 16.9 mm-40 -67.25 -39.67 86.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.021 176.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.56 88.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.583 -179.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.499 HD22 HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -71.99 -12.11 61.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.046 0.451 . . . . 0.0 110.68 -176.192 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.444 ' NE2' ' HA ' ' A' ' 113' ' ' GLU . 57.0 mt-30 -82.76 -14.96 53.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.347 175.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.451 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 40.1 m-85 -89.28 165.21 27.21 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.503 -177.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.49 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 43.5 Cg_endo -72.2 85.92 1.0 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 122.144 1.896 . . . . 0.0 111.554 177.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 72.0 mt -96.58 153.68 17.71 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.492 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.37 151.66 90.62 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.909 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.09 -17.52 38.76 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.123 2.549 . . . . 0.0 113.205 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.462 ' HB3' ' HD2' ' A' ' 77' ' ' ARG . . . -95.67 -19.34 19.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.68 0.276 . . . . 0.0 110.796 177.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -84.5 -30.88 24.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.868 -175.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.522 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 76.8 mt -63.29 -57.36 20.83 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.613 -176.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 12.3 Cg_endo -55.83 -30.86 78.64 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.56 2.174 . . . . 0.0 112.629 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 99.3 mt -72.25 -41.52 66.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.108 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.553 HD11 ' O ' ' A' ' 111' ' ' PRO . 3.1 tm? -71.42 -39.4 71.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.154 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 27.2 mt-10 -53.98 -40.99 67.4 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-O 120.65 0.262 . . . . 0.0 111.013 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.23 -23.64 40.73 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.661 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.601 ' CE2' ' HD2' ' A' ' 134' ' ' ARG . 85.0 t80 -70.84 -46.44 62.71 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.4 ptm -65.52 -33.48 76.02 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.589 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.55 92.81 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.738 0.304 . . . . 0.0 111.091 173.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.414 HD22 HG12 ' A' ' 72' ' ' VAL . 3.3 mp -66.26 -40.47 90.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.43 -176.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.601 ' HD2' ' CE2' ' A' ' 130' ' ' PHE . 18.4 mtp-105 -75.22 -25.69 58.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.545 0.212 . . . . 0.0 111.341 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -87.22 -36.17 18.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.754 0.311 . . . . 0.0 111.266 -176.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.903 -178.877 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.407 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 3.2 mppt? . . . . . 0 CA--C 1.516 -0.337 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.2 mtp -104.5 126.41 51.57 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.646 0.736 . . . . 0.0 111.693 -175.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.443 ' O ' ' HA ' ' A' ' 84' ' ' ILE . 26.1 mt -107.29 120.74 59.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.819 178.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -100.01 123.92 44.79 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -177.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 96.6 t -125.82 125.12 67.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.351 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.1 m -101.5 133.38 45.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.271 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.52 129.76 56.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.003 -179.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.47 ' HB3' HD22 ' A' ' 54' ' ' LEU . . . -103.05 113.88 27.71 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.053 0.454 . . . . 0.0 110.359 -177.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.422 HG22 ' CG2' ' A' ' 22' ' ' ILE . 5.7 mt -91.5 101.13 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.779 HG13 HD23 ' A' ' 23' ' ' LEU . 1.3 mm -85.83 102.02 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -179.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.594 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . 4.5 tm-20 -123.27 122.16 37.66 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.456 -175.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.949 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -151.69 146.57 25.88 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.175 -0.92 . . . . 0.0 108.969 175.548 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 73.72 0.98 3.8 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.787 0.679 . . . . 0.0 110.525 -176.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.19 6.11 55.76 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -176.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.539 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 24.8 mttt -121.17 147.15 45.98 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -175.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.465 HG21 ' HE1' ' A' ' 39' ' ' PHE . 8.8 mt -104.8 147.76 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.628 -177.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.861 HD13 ' HG ' ' A' ' 106' ' ' LEU . 40.2 tp -86.72 123.29 31.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.572 -178.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.583 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 58.5 mt -117.09 154.9 30.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.05 173.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.494 ' HA ' ' O ' ' A' ' 105' ' ' ALA . . . -131.01 123.2 28.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.994 0.426 . . . . 0.0 111.567 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.535 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.439 0 N-CA-C 112.793 -0.123 . . . . 0.0 112.793 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.549 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 6.3 mp -77.8 151.38 34.01 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.804 0.335 . . . . 0.0 111.38 -178.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.583 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 13.2 m95 -122.22 159.2 27.78 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 177.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.436 ' OE2' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -152.44 -178.08 6.61 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 178.543 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.467 ' HZ ' HD22 ' A' ' 127' ' ' LEU . 98.8 m-85 -90.99 127.85 36.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 175.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.33 155.98 30.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 155.41 -130.52 2.82 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -177.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.02 178.6 32.21 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.54 177.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -79.87 151.8 29.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.39 -0.405 . . . . 0.0 110.113 178.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.0 t -99.14 128.39 50.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -177.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.592 ' HG3' ' HD2' ' A' ' 46' ' ' PRO . 4.0 tp10 -100.45 145.17 29.84 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 175.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.592 ' HD2' ' HG3' ' A' ' 45' ' ' GLU . 9.4 Cg_endo -52.8 -20.36 12.76 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.045 2.496 . . . . 0.0 113.173 -178.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -72.58 -20.61 61.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.774 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 53' ' ' ALA . 12.5 pt-20 -126.98 152.11 47.64 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.113 0.483 . . . . 0.0 110.944 -174.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.4 t -83.82 169.25 15.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.652 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.438 ' HB3' ' HH2' ' A' ' 89' ' ' TRP . 96.0 mt-30 -59.05 -51.81 68.46 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -175.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.473 ' O ' HG21 ' A' ' 55' ' ' VAL . 59.5 mtt180 -72.98 -30.9 64.17 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -64.64 -38.95 92.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.749 -179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.402 ' HA ' ' OE1' ' A' ' 48' ' ' GLU . . . -58.49 -51.83 68.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.484 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.708 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 22.7 mt -59.87 -47.44 85.74 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 120.709 0.29 . . . . 0.0 111.144 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.473 HG21 ' O ' ' A' ' 51' ' ' ARG . 86.4 t -59.03 -46.43 91.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.883 -177.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.559 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 5.3 ppt_? -74.31 -39.69 62.72 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.211 -177.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 5.1 mm-40 -60.95 -46.59 90.08 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.596 0.236 . . . . 0.0 111.25 177.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 32.6 mt -66.51 -32.97 74.67 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.08 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -60.62 -34.58 74.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.162 174.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 28.4 mt-10 -87.08 -37.05 17.77 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -178.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.592 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 2.1 mt-10 -89.35 -52.55 4.98 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.752 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.664 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 43.2 mt -97.64 4.14 50.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -171.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 45.21 37.48 5.97 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 114.635 0.614 . . . . 0.0 114.635 -175.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.439 HG12 ' HB2' ' A' ' 62' ' ' LEU . 36.0 pt -129.87 144.38 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 117.839 0.819 . . . . 0.0 111.792 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.46 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 7.6 mm-40 -89.35 93.4 9.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.848 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.93 157.11 22.04 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.478 -174.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.564 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 38.1 m -119.46 103.93 9.89 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.219 176.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.4 t -76.06 117.22 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.635 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.517 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . -162.76 62.73 0.26 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 119.847 -1.168 . . . . 0.0 113.973 -172.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.517 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 11.9 pt-20 158.46 148.03 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.208 1.003 . . . . 0.0 109.546 173.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.607 ' HA ' ' HD1' ' A' ' 89' ' ' TRP . 0.2 OUTLIER -104.26 127.51 51.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.268 -173.758 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.426 ' HB ' ' O ' ' A' ' 88' ' ' ALA . 85.5 t -97.81 -70.02 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.952 172.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -163.95 165.25 22.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 111.722 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 72.3 m -131.21 145.08 51.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.181 174.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -131.6 140.82 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.329 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -110.0 146.77 34.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.223 0.535 . . . . 0.0 111.283 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.464 ' HG3' HG13 ' A' ' 84' ' ' ILE . 15.2 ptt180 -158.55 174.19 15.46 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 172.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 6.7 pt-20 -118.8 151.52 37.9 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 119.245 -0.982 . . . . 0.0 111.716 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.566 ' HB ' HD12 ' A' ' 84' ' ' ILE . 3.8 p -126.33 94.92 2.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.678 172.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.2 m 53.06 66.88 1.1 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.784 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.19 17.25 71.89 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 116.089 -0.505 . . . . 0.0 113.916 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 78' ' ' GLU . 91.3 mtt180 -127.97 131.24 49.28 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mp -94.13 114.84 31.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.066 0.46 . . . . 0.0 110.389 -173.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.566 HD12 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -89.09 131.24 36.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.382 178.123 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -116.57 96.86 5.7 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.943 -176.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.585 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.2 mp -88.93 128.82 35.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 -176.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -109.24 112.98 25.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.668 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.426 ' O ' ' HB ' ' A' ' 72' ' ' VAL . . . -93.75 107.04 18.97 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.023 0.44 . . . . 0.0 110.372 177.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.607 ' HD1' ' HA ' ' A' ' 71' ' ' TYR . 7.6 m0 -111.05 150.4 29.39 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.41 177.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.594 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 39.6 t-80 -95.65 130.85 42.4 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.673 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.5 t -91.22 104.32 9.45 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.015 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.564 ' HD2' ' O ' ' A' ' 67' ' ' THR . 61.3 Cg_endo -75.45 -27.48 9.28 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.806 2.338 . . . . 0.0 112.627 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -153.18 141.93 21.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.683 -176.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -146.07 142.59 28.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.85 0.357 . . . . 0.0 110.587 178.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.46 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 76.7 t60 -103.84 121.83 43.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 126.07 -166.25 18.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.861 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 26.0 m -117.95 120.09 36.78 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.58 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 1.3 pt? -72.5 119.2 16.38 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.962 -174.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.664 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.0 pt20 -123.3 169.15 11.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.576 -176.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.455 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -113.94 104.53 12.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.816 0.341 . . . . 0.0 110.41 177.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -89.98 -69.09 0.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.222 -178.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.592 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 60.9 mm-40 -77.19 -36.99 54.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.218 0.532 . . . . 0.0 109.878 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -86.96 156.86 19.62 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 174.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -95.83 -47.8 6.0 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -168.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.494 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -115.67 147.71 40.54 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.674 -178.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.861 ' HG ' HD13 ' A' ' 23' ' ' LEU . 2.5 tp -131.73 122.06 25.26 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -178.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.4 p -131.54 148.91 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.821 0.343 . . . . 0.0 111.591 -172.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.49 ' CZ2' HD13 ' A' ' 98' ' ' LEU . 10.8 m-90 -105.59 115.13 29.73 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 172.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.7 p -125.26 150.63 46.89 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.302 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.461 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 24.5 m -66.71 157.38 83.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.69 -52.67 7.18 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.969 2.446 . . . . 0.0 112.992 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.07 -28.5 68.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.75 0.31 . . . . 0.0 111.188 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.461 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 16.4 mm-40 -67.13 -41.33 86.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.317 178.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.04 -41.63 83.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.195 -174.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.539 HD21 HD13 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -73.15 -11.85 60.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.645 0.259 . . . . 0.0 111.329 -177.48 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.424 ' NE2' ' HA ' ' A' ' 113' ' ' GLU . 45.7 mt-30 -87.67 -8.26 56.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.206 0.527 . . . . 0.0 110.382 173.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.409 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 7.9 m-85 -88.68 154.69 50.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.612 178.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.549 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 37.0 Cg_endo -66.86 79.86 0.36 Allowed 'Trans proline' 0 CA--C 1.529 0.249 0 C-N-CA 122.365 2.043 . . . . 0.0 112.15 177.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 84.3 mt -89.38 153.73 20.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.273 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.553 ' HB1' ' OD1' ' A' ' 123' ' ' ASP . . . -72.65 160.06 83.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.577 177.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.525 ' HD2' ' HB3' ' A' ' 120' ' ' ALA . 18.9 Cg_endo -59.9 -13.03 20.76 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.227 2.618 . . . . 0.0 113.46 -177.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.435 ' HB3' HD22 ' A' ' 86' ' ' LEU . . . -93.01 -30.14 15.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.752 0.311 . . . . 0.0 110.659 178.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.553 ' OD1' ' HB1' ' A' ' 120' ' ' ALA . 3.8 m-20 -79.48 -29.24 41.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.874 -175.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.459 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 82.6 mt -60.01 -59.97 12.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.962 -176.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.459 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 15.9 Cg_endo -57.98 -26.57 75.47 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.428 2.085 . . . . 0.0 112.839 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.9 mt -75.23 -42.61 55.0 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.833 0.349 . . . . 0.0 110.317 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.539 HD13 HD21 ' A' ' 115' ' ' LEU . 2.8 tm? -73.58 -37.59 65.44 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -51.67 -42.15 61.91 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.739 0.304 . . . . 0.0 110.483 176.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.449 ' HA ' ' HB1' ' A' ' 132' ' ' ALA . . . -82.69 -21.66 34.79 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.433 ' HB3' HD23 ' A' ' 127' ' ' LEU . 85.9 t80 -70.52 -45.94 64.59 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 178.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.2 ptm -69.4 -33.12 72.54 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.57 175.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.449 ' HB1' ' HA ' ' A' ' 129' ' ' ALA . . . -60.56 -44.33 96.27 Favored 'General case' 0 C--N 1.338 0.085 0 CA-C-O 120.869 0.366 . . . . 0.0 111.384 174.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.51 -32.84 73.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.389 -176.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 134' ' ' ARG . 29.3 mtp180 -93.71 -17.4 23.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.496 -176.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.48 -39.02 12.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.055 0.455 . . . . 0.0 110.429 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.322 179.486 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.1 mtt -99.75 130.83 46.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.55 0.691 . . . . 0.0 111.333 -177.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.567 ' O ' ' HA ' ' A' ' 84' ' ' ILE . 23.3 mt -106.45 109.93 29.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 114.724 -1.125 . . . . 0.0 108.251 176.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -96.27 125.17 40.6 Favored 'General case' 0 C--N 1.305 -1.345 0 C-N-CA 120.394 -0.523 . . . . 0.0 109.75 -175.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.613 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 89.8 t -125.29 128.62 72.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -178.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 87' ' ' HIS . 2.5 m -100.0 133.25 43.6 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.48 133.19 55.35 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.508 ' HB1' HD22 ' A' ' 54' ' ' LEU . . . -102.67 115.85 31.4 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.128 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.408 HG23 ' CG2' ' A' ' 22' ' ' ILE . 4.8 mt -93.68 98.89 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 174.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.474 HD12 HD22 ' A' ' 23' ' ' LEU . 46.9 mt -91.5 104.12 15.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -176.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.55 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 43.5 tt0 -109.27 112.2 24.21 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.003 -174.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.426 ' NH1' ' HA ' ' A' ' 93' ' ' ASP . 6.7 tpt180 -123.64 121.97 36.94 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.417 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 68.68 14.33 8.99 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.828 0.705 . . . . 0.0 111.275 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.93 2.89 58.2 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.395 -0.907 . . . . 0.0 112.326 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 9.4 mttp -113.34 150.06 33.12 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 108' ' ' TRP . 17.3 mt -104.18 148.48 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -177.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.474 HD22 HD12 ' A' ' 16' ' ' ILE . 42.9 tp -89.1 119.61 29.76 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.145 0.498 . . . . 0.0 111.365 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.644 HD23 ' HE3' ' A' ' 37' ' ' TRP . 7.0 mp -115.24 147.62 40.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.119 177.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.41 116.77 26.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.931 0.396 . . . . 0.0 111.312 -178.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.238 0.448 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.198 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.684 0 N-CA-C 112.669 -0.173 . . . . 0.0 112.669 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.439 ' HA ' ' HG2' ' A' ' 118' ' ' PRO . 11.4 mt -75.6 145.85 40.83 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.86 0.362 . . . . 0.0 111.138 178.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.644 ' HE3' HD23 ' A' ' 24' ' ' LEU . 27.7 m0 -108.59 147.75 31.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.815 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.407 ' OE2' ' HE1' ' A' ' 103' ' ' HIS . 9.5 pt-20 -146.91 159.89 42.99 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -79.72 153.54 29.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.798 0.332 . . . . 0.0 110.421 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.4 ' CB ' HD12 ' A' ' 62' ' ' LEU . . . -81.46 160.8 23.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.756 -178.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.13 -139.61 7.04 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -178.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.88 177.04 37.77 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.317 -0.944 . . . . 0.0 112.884 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -77.9 152.12 33.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.014 0.435 . . . . 0.0 110.562 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -98.7 120.43 48.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -86.08 157.68 56.56 Favored Pre-proline 0 C--N 1.319 -0.737 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -74.5 3.32 5.44 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.416 2.077 . . . . 0.0 112.127 -174.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -101.73 -7.77 22.32 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.06 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -131.74 170.02 15.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.498 0.666 . . . . 0.0 112.362 -170.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.0 m -96.81 162.03 13.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.142 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -57.0 -55.22 37.5 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.817 0.341 . . . . 0.0 111.142 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.441 ' HB3' ' HB ' ' A' ' 68' ' ' VAL . 49.7 mtt180 -65.55 -31.68 72.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.143 0.497 . . . . 0.0 110.171 -179.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -70.08 -39.95 75.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.313 -176.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.67 96.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.649 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.53 ' O ' HD13 ' A' ' 58' ' ' LEU . 38.7 mt -62.72 -46.67 87.03 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 111.141 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 51' ' ' ARG . 53.1 t -59.51 -42.28 87.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.344 -177.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.578 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 11.9 ptt85 -76.39 -42.86 42.99 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.286 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.5 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 5.6 mm-40 -58.48 -49.88 75.76 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.7 0.286 . . . . 0.0 111.08 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 54' ' ' LEU . 9.9 mp -62.33 -32.71 73.51 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.296 176.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -63.86 -37.79 88.68 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.73 174.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 29.2 mt-10 -80.3 -45.47 17.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.971 -178.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.601 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 67.1 mm-40 -84.64 -51.75 6.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.524 -176.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.733 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 63.9 mt -100.17 7.28 44.64 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.709 -172.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 45.46 34.6 4.96 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 115.007 0.763 . . . . 0.0 115.007 -175.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.507 HG22 ' O ' ' A' ' 62' ' ' LEU . 47.8 pt -124.91 146.48 30.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 117.859 0.83 . . . . 0.0 112.014 -178.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 31.8 mt-10 -90.09 93.39 9.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.497 -0.774 . . . . 0.0 108.969 172.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.67 149.12 28.67 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.151 0.5 . . . . 0.0 111.612 -176.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.704 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 40.5 m -112.51 104.11 12.21 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.046 175.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 51' ' ' ARG . 49.5 t -88.15 122.26 39.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.863 -176.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.488 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . -167.52 76.71 0.12 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 119.755 -1.212 . . . . 0.0 114.152 -175.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.616 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 12.2 pt-20 146.95 119.39 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.559 1.544 . . . . 0.0 109.324 172.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.43 131.5 35.6 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.1 -176.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.5 t -97.07 -69.95 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.338 176.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.69 171.47 20.26 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.85 0.357 . . . . 0.0 111.321 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.7 p -136.67 147.32 46.76 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 176.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -139.52 147.21 40.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.859 0.361 . . . . 0.0 110.51 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -112.56 141.69 46.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.226 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.581 ' HD3' ' HB1' ' A' ' 122' ' ' ALA . 18.4 ptt180 -148.16 170.61 17.46 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 173.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -119.91 149.42 42.12 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 119.374 -0.931 . . . . 0.0 111.626 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.567 ' HB ' HD12 ' A' ' 84' ' ' ILE . 3.2 p -126.22 96.22 3.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.502 173.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 m 51.12 65.47 1.47 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.67 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.84 14.34 70.24 Favored Glycine 0 CA--C 1.521 0.427 0 CA-C-N 116.249 -0.432 . . . . 0.0 113.989 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.541 ' HB2' HG13 ' A' ' 79' ' ' VAL . 85.7 mtt180 -119.09 133.01 56.05 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 175.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.9 mp -95.06 109.99 23.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.159 0.504 . . . . 0.0 110.575 -173.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.567 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -86.49 129.8 37.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.163 179.769 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -119.16 97.98 5.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.808 -175.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.613 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.2 mp -87.31 132.41 33.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.592 -175.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.4 ' HB2' HG12 ' A' ' 12' ' ' VAL . 48.6 m-70 -113.53 112.72 24.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.73 176.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.497 ' HB1' ' CD2' ' A' ' 126' ' ' LEU . . . -90.14 110.47 21.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.129 0.49 . . . . 0.0 110.895 179.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.403 ' HB3' HG11 ' A' ' 68' ' ' VAL . 82.8 m95 -108.09 136.72 47.3 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.626 176.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.616 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 45.9 t-80 -84.9 125.66 32.83 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.449 ' HB ' ' HA ' ' A' ' 16' ' ' ILE . 61.8 t -91.43 101.69 4.65 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.634 175.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.704 ' HD2' ' O ' ' A' ' 67' ' ' THR . 55.5 Cg_endo -71.68 -22.62 23.85 Favored 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 122.816 2.344 . . . . 0.0 112.436 -179.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.426 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 38.7 t70 -158.05 148.68 20.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.983 0.421 . . . . 0.0 111.505 -178.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -143.72 145.45 32.43 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 37.3 t-80 -109.81 120.31 42.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.684 0.278 . . . . 0.0 110.559 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 130.48 -165.64 22.63 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.202 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 89.7 m -122.17 129.32 52.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.015 0.436 . . . . 0.0 110.697 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.476 HD22 HG21 ' A' ' 64' ' ' ILE . 18.6 mt -59.54 129.34 41.5 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.946 -1.024 . . . . 0.0 112.007 -176.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.733 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 9.7 pt20 -140.27 155.78 46.73 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.342 175.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.478 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -111.47 124.14 51.66 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.638 0.256 . . . . 0.0 111.488 177.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -98.0 -66.55 0.89 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.065 0.459 . . . . 0.0 110.292 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.601 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 12.4 mm-40 -76.89 -29.66 55.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.052 177.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.407 ' HE1' ' OE2' ' A' ' 38' ' ' GLU . 53.6 m-70 -96.96 163.82 12.79 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.672 -175.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -94.78 -64.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.985 0.421 . . . . 0.0 111.023 -175.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.32 149.04 28.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.792 -175.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.501 HD23 HD21 ' A' ' 62' ' ' LEU . 1.4 tp -123.64 125.15 44.3 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.4 p -137.76 128.72 38.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.389 0.614 . . . . 0.0 111.457 -173.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.519 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 23.1 p90 -94.78 125.38 39.4 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.317 172.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.525 ' SG ' HD13 ' A' ' 24' ' ' LEU . 26.0 p -144.11 157.97 44.0 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.692 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.499 ' HB2' ' HG3' ' A' ' 113' ' ' GLU . 5.6 m -71.38 155.12 93.19 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -175.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.522 ' O ' HD12 ' A' ' 127' ' ' LEU . 48.7 Cg_exo -47.25 -49.74 12.38 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.06 2.506 . . . . 0.0 113.079 -178.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 1.6 pm0 -65.87 -36.31 83.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.959 -177.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.499 ' HG3' ' HB2' ' A' ' 110' ' ' SER . 28.7 mt-10 -67.14 -38.65 85.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.979 0.418 . . . . 0.0 110.153 177.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.25 90.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.726 -176.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.522 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -71.36 -16.07 62.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.711 0.291 . . . . 0.0 111.232 -175.501 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 112' ' ' GLU . 52.4 mt-30 -79.92 -8.13 59.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.022 0.439 . . . . 0.0 110.879 177.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.526 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 32.2 m-85 -100.81 165.71 13.78 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.765 -178.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.526 ' HD2' ' HB3' ' A' ' 117' ' ' TYR . 55.8 Cg_endo -70.29 76.82 1.32 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.524 2.149 . . . . 0.0 112.705 -178.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.428 HD22 ' O ' ' A' ' 37' ' ' TRP . 41.9 mt -86.48 152.76 22.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.2 176.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.505 ' HB1' ' OD1' ' A' ' 123' ' ' ASP . . . -68.12 155.2 92.64 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.659 178.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 120' ' ' ALA . 17.7 Cg_endo -59.37 -13.96 22.77 Favored 'Trans proline' 0 CA--C 1.534 0.502 0 C-N-CA 123.197 2.598 . . . . 0.0 114.214 -174.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.581 ' HB1' ' HD3' ' A' ' 77' ' ' ARG . . . -98.18 -25.52 14.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.017 -0.427 . . . . 0.0 111.068 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.505 ' OD1' ' HB1' ' A' ' 120' ' ' ALA . 2.0 m-20 -78.27 -26.25 47.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.854 -178.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.462 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 80.3 mt -62.94 -59.03 13.6 Favored Pre-proline 0 CA--C 1.537 0.468 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.33 -179.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.462 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 10.4 Cg_endo -55.49 -32.12 81.14 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.85 2.367 . . . . 0.0 112.904 179.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.497 ' CD2' ' HB1' ' A' ' 88' ' ' ALA . 5.0 mp -73.73 -45.31 52.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.991 0.424 . . . . 0.0 110.506 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 111' ' ' PRO . 2.9 tm? -69.83 -38.45 76.53 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.808 178.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -49.99 -44.79 51.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.345 176.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.463 ' HA ' ' HB1' ' A' ' 132' ' ' ALA . . . -80.91 -20.68 41.59 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.574 -179.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -74.1 -47.36 36.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.8 ptm -68.16 -32.64 73.05 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.618 174.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.463 ' HB1' ' HA ' ' A' ' 129' ' ' ALA . . . -59.22 -40.13 84.86 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.124 0.488 . . . . 0.0 110.766 172.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 mp -67.65 -35.28 78.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.543 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -81.26 -17.89 47.88 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -86.41 -35.39 19.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.129 0.49 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.334 178.499 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt . . . . . 0 N--CA 1.451 -0.396 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.8 mtp -94.45 127.87 40.64 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.41 0.624 . . . . 0.0 110.755 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.47 ' HB ' HG22 ' A' ' 84' ' ' ILE . 40.4 mt -108.42 104.81 17.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.261 178.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -97.59 118.71 34.71 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -174.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.565 ' HB ' ' HG ' ' A' ' 86' ' ' LEU . 93.9 t -118.03 141.23 38.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.649 -174.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.06 132.05 62.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.059 0.457 . . . . 0.0 110.713 177.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.62 126.66 55.6 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.299 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.489 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -102.82 109.57 21.19 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.136 0.493 . . . . 0.0 109.981 -178.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.431 HG21 ' CG2' ' A' ' 22' ' ' ILE . 7.6 mt -92.52 105.02 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.062 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.133 178.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.846 HG13 HD22 ' A' ' 23' ' ' LEU . 2.7 mm -82.3 102.13 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.605 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . 3.2 tm-20 -116.85 117.1 28.8 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.4 ' HG3' ' OD2' ' A' ' 19' ' ' ASP . 25.3 tpt180 -136.61 127.69 27.84 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.306 -177.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.4 ' OD2' ' HG3' ' A' ' 18' ' ' ARG . 41.7 m-20 66.9 17.59 10.54 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.491 0.494 . . . . 0.0 111.208 178.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.24 4.82 66.16 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.996 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 12.5 mmtp -115.71 141.05 48.6 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -178.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 108' ' ' TRP . 49.0 mt -103.63 144.65 13.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.932 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.846 HD22 HG13 ' A' ' 16' ' ' ILE . 50.7 tp -83.4 109.69 17.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.654 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.472 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 7.3 mp -98.71 127.81 44.76 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 175.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.08 112.9 20.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.675 0.274 . . . . 0.0 110.541 -177.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 7.1 tt0 . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.895 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.315 -0.314 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.506 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 26.4 mt -77.92 154.08 31.98 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 122.566 0.346 . . . . 0.0 110.666 177.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.604 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 73.0 m95 -113.52 140.91 47.74 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 175.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.435 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 37.8 mp0 -141.82 166.17 25.46 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -177.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.414 ' HZ ' HD22 ' A' ' 127' ' ' LEU . 60.6 m-85 -82.89 159.86 22.26 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.36 175.91 7.14 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.35 -135.41 6.83 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.6 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.556 ' O ' HG12 ' A' ' 11' ' ' VAL . . . 170.29 -145.23 8.96 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.196 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -124.84 152.59 43.76 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -175.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.9 t -95.59 113.82 30.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.0 -175.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.484 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 34.7 mm-40 -82.29 141.15 45.82 Favored Pre-proline 0 N--CA 1.442 -0.847 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 175.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -50.74 -37.07 53.45 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.804 2.336 . . . . 0.0 112.537 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -78.57 -2.48 39.06 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -176.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.484 ' HG2' ' HB2' ' A' ' 45' ' ' GLU . 12.6 pt-20 -129.5 173.99 10.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.121 0.486 . . . . 0.0 111.471 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 t -105.44 164.28 11.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.921 -175.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -60.11 -55.12 37.77 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.338 -178.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 55' ' ' VAL . 58.4 mtt180 -61.63 -32.8 72.96 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-O 120.877 0.37 . . . . 0.0 110.171 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -70.74 -46.14 63.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.275 -177.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -59.24 -46.31 88.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.747 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.713 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 27.2 mt -61.19 -45.23 95.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.206 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 51' ' ' ARG . 46.8 t -61.72 -45.45 98.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.026 -177.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -71.28 -39.65 71.38 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.078 -176.528 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.6 -46.65 81.77 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 26.5 mt -66.08 -33.99 77.04 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.57 -178.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -56.88 -34.22 67.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.95 0.405 . . . . 0.0 110.718 174.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -89.66 -43.03 11.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.933 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.577 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 69.7 mm-40 -89.71 -38.36 13.91 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -173.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.444 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 57.3 mt -101.54 -19.82 15.33 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.633 -175.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.54 15.29 71.43 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.075 -1.059 . . . . 0.0 111.917 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.479 HD13 ' CB ' ' A' ' 94' ' ' PHE . 45.4 pt -123.21 144.14 33.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.856 0.36 . . . . 0.0 111.177 -177.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -86.56 99.72 11.89 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 171.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.407 ' CB ' HD11 ' A' ' 58' ' ' LEU . . . -84.97 148.14 26.36 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.308 0.575 . . . . 0.0 111.971 -172.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.667 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 40.7 m -111.75 106.17 14.87 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.013 174.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.5 t -92.71 124.43 45.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -177.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.427 ' HA2' ' NH1' ' A' ' 51' ' ' ARG . . . -171.41 68.24 0.13 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 119.852 -1.166 . . . . 0.0 113.969 -176.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.521 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 10.6 pt-20 157.65 104.31 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.82 1.248 . . . . 0.0 109.278 177.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.709 ' HH ' ' HB3' ' A' ' 74' ' ' SER . 9.4 t80 -79.94 129.55 34.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.976 -176.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.575 HG12 ' HD1' ' A' ' 130' ' ' PHE . 75.7 t -100.05 -69.76 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -177.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' A' ' 129' ' ' ALA . . . -137.21 -177.89 4.97 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -172.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.709 ' HB3' ' HH ' ' A' ' 71' ' ' TYR . 24.8 p -162.97 136.74 6.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.078 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -135.53 130.35 34.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.822 0.344 . . . . 0.0 110.196 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -108.33 136.16 48.43 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.159 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.602 ' HG3' HG13 ' A' ' 84' ' ' ILE . 9.3 ptm180 -153.66 176.71 11.78 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 178.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -117.04 151.95 35.68 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.765 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.594 ' HB ' HD12 ' A' ' 84' ' ' ILE . 2.7 p -127.22 95.06 2.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 171.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.2 t 50.81 63.71 2.12 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.053 -177.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.66 -19.68 18.8 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 121.148 -0.549 . . . . 0.0 114.395 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -97.27 133.49 41.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.514 0.657 . . . . 0.0 110.834 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.9 mp -90.45 115.18 29.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.776 0.322 . . . . 0.0 110.845 -173.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.602 HG13 ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -92.06 135.0 28.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.187 0.517 . . . . 0.0 110.465 176.459 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -125.62 98.73 5.69 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.734 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.565 ' HG ' ' HB ' ' A' ' 11' ' ' VAL . 6.3 mp -88.04 133.48 33.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.566 -176.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.487 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . 39.9 m80 -112.25 113.98 26.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.721 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.99 109.69 20.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.762 0.315 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -107.7 147.23 31.02 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.622 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.605 ' NE2' ' HB3' ' A' ' 17' ' ' GLU . 9.7 t-160 -102.4 127.81 49.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 173.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.481 HG22 HD13 ' A' ' 16' ' ' ILE . 12.4 m -92.71 104.37 11.28 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-O 121.222 0.534 . . . . 0.0 110.225 174.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.667 ' HD2' ' O ' ' A' ' 67' ' ' THR . 59.0 Cg_endo -72.18 -8.89 23.63 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 123.09 2.527 . . . . 0.0 112.733 -179.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.413 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 20.5 t70 -157.62 145.24 18.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.902 0.382 . . . . 0.0 110.997 -178.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.479 ' CB ' HD13 ' A' ' 64' ' ' ILE . 38.6 p90 -151.11 144.94 25.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.233 174.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -111.69 124.16 51.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.547 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.32 -160.01 18.92 Favored Glycine 0 N--CA 1.453 -0.198 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.5 m -122.42 125.73 46.47 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.447 ' H ' ' HG ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -75.46 122.07 23.27 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.697 0.761 . . . . 0.0 110.727 -175.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.444 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 29.8 pt20 -140.86 166.84 23.68 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.869 -176.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -101.92 110.49 22.48 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.262 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.577 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 34.2 t-80 -83.92 -65.25 1.03 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.45 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -84.33 -36.4 22.58 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.487 178.773 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -75.12 175.04 8.6 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.427 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -95.52 -73.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.549 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -120.24 163.02 18.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.472 0.177 . . . . 0.0 111.194 -176.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.446 ' HB3' HD13 ' A' ' 23' ' ' LEU . 2.3 mm? -122.16 137.97 54.64 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.9 p -134.99 130.58 52.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.084 0.469 . . . . 0.0 110.249 172.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.445 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 15.8 p90 -99.43 121.06 40.6 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.465 0.65 . . . . 0.0 110.557 177.045 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 39.3 m -145.33 156.88 44.06 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.551 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.9 m -66.51 155.84 87.56 Favored Pre-proline 0 C--N 1.315 -0.893 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -177.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.581 ' O ' HD12 ' A' ' 127' ' ' LEU . 5.8 Cg_endo -49.92 -42.26 45.35 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.006 2.471 . . . . 0.0 112.903 -178.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -66.96 -33.09 74.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.798 0.332 . . . . 0.0 111.064 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -72.77 -40.76 65.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.703 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.82 -38.67 75.99 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.365 -173.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -71.66 -12.93 61.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.877 0.37 . . . . 0.0 110.868 -175.537 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -86.26 -8.7 57.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.151 0.5 . . . . 0.0 110.373 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.477 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 38.6 m-85 -89.01 165.97 24.25 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.805 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.477 ' HD2' ' HB3' ' A' ' 117' ' ' TYR . 72.3 Cg_endo -73.77 73.37 3.59 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.121 1.88 . . . . 0.0 111.803 176.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.604 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 77.9 mt -80.81 150.89 29.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.251 178.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.562 ' HB1' ' OD1' ' A' ' 123' ' ' ASP . . . -59.8 152.46 58.42 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 177.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.4 -11.74 24.25 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.052 2.502 . . . . 0.0 113.275 -177.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.421 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -95.49 -26.05 15.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.034 0.445 . . . . 0.0 109.905 176.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.562 ' OD1' ' HB1' ' A' ' 120' ' ' ALA . 1.0 OUTLIER -82.75 -26.32 32.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.206 -174.261 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.421 ' N ' ' HD2' ' A' ' 125' ' ' PRO . 73.3 mt -62.15 -57.27 24.4 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.853 -177.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 29.5 Cg_endo -63.35 -21.88 71.68 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.28 1.987 . . . . 0.0 112.747 179.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 84.7 mt -77.14 -42.81 36.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.874 0.369 . . . . 0.0 110.142 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.581 HD12 ' O ' ' A' ' 111' ' ' PRO . 3.2 tm? -70.33 -36.29 74.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.552 178.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -47.9 -45.66 30.93 Favored 'General case' 0 N--CA 1.458 -0.067 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.046 175.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.626 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -83.93 -14.73 50.23 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.575 ' HD1' HG12 ' A' ' 72' ' ' VAL . 57.8 t80 -75.46 -46.74 30.73 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.7 ptm -70.02 -34.82 73.77 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.872 174.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.626 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -60.01 -41.29 91.81 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 120.669 0.271 . . . . 0.0 111.022 172.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 129' ' ' ALA . 1.4 tp -67.31 -33.59 75.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.929 -177.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 37.1 mtp85 -87.06 -9.92 54.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.751 0.31 . . . . 0.0 111.316 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -96.19 -39.46 9.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.107 0.48 . . . . 0.0 110.345 175.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.451 178.217 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.2 mttm . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 120.83 0.348 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.1 mtp -102.28 137.03 41.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.094 175.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.567 ' HB ' HG22 ' A' ' 84' ' ' ILE . 58.4 mt -111.88 122.55 66.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.26 -178.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -99.44 121.1 40.66 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.622 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 97.2 t -124.92 120.52 58.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -178.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.415 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 1.6 m -98.93 134.05 39.24 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.404 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.96 131.76 56.8 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.034 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.485 ' HB2' HD21 ' A' ' 54' ' ' LEU . . . -102.62 120.93 41.41 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.107 0.48 . . . . 0.0 110.403 -177.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.413 HG22 ' CG2' ' A' ' 22' ' ' ILE . 5.2 mt -94.18 99.58 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 175.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.751 HG13 HD21 ' A' ' 23' ' ' LEU . 2.2 mm -87.59 110.39 20.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -176.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.403 ' CD ' HH12 ' A' ' 134' ' ' ARG . 59.5 tt0 -104.88 119.59 39.36 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.668 -178.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.435 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -142.2 138.96 31.86 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 175.843 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.425 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 18.3 t70 79.21 -22.05 0.3 Allowed 'General case' 0 N--CA 1.474 0.757 0 O-C-N 123.956 0.785 . . . . 0.0 110.712 -175.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.21 3.78 29.37 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 -165.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -109.51 161.3 15.47 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.419 -0.891 . . . . 0.0 109.609 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.413 ' CG2' HG22 ' A' ' 15' ' ' ILE . 13.0 mt -105.81 147.04 11.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.751 HD21 HG13 ' A' ' 16' ' ' ILE . 55.2 tp -87.39 116.99 25.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.335 -178.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.421 HD12 ' SG ' ' A' ' 109' ' ' CYS . 7.6 mp -111.52 134.96 52.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.953 176.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.75 121.2 43.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.289 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 37' ' ' TRP . 34.9 tt0 . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 121.284 0.564 . . . . 0.0 112.272 -176.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.121 0 CA-C-O 120.934 0.186 . . . . 0.0 112.805 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.565 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 5.9 mp -77.34 155.76 31.74 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 123.001 0.521 . . . . 0.0 110.748 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.436 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 62.2 m95 -114.76 145.42 42.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.244 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -133.42 156.85 46.95 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -82.71 122.35 28.05 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 175.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.87 146.38 32.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.229 -176.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.7 -137.09 4.32 Favored Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 -176.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.22 -152.33 20.94 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.603 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -114.03 151.77 31.95 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -176.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.7 t -98.25 118.72 45.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.123 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.33 143.63 45.23 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 175.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.84 -6.04 4.26 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.964 2.442 . . . . 0.0 114.006 -173.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -115.94 12.62 15.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.855 0.359 . . . . 0.0 111.435 -177.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -135.34 158.73 43.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.979 173.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.8 m -85.24 160.03 19.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.082 -177.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -57.22 -42.67 81.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.873 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.448 ' O ' HG22 ' A' ' 55' ' ' VAL . 53.0 mtt180 -69.92 -35.51 74.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.274 178.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -68.09 -43.05 79.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.845 -175.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.43 88.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.797 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.698 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 22.8 mt -59.42 -47.14 86.62 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.745 0.307 . . . . 0.0 110.671 176.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 51' ' ' ARG . 53.7 t -59.21 -44.48 92.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.177 -176.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 4.3 ppt_? -76.32 -42.22 45.85 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.311 -178.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.84 -44.14 97.44 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.251 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 54.3 mt -66.49 -34.69 78.49 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.909 178.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.438 ' O ' ' HA2' ' A' ' 63' ' ' GLY . 22.6 ttt85 -61.51 -34.41 75.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.122 176.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 21.4 mt-10 -87.85 -39.85 14.48 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.511 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.599 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 54.3 mm-40 -82.19 -51.43 7.96 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.641 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 50.8 mt -97.11 -21.56 17.28 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.75 -175.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . 81.51 28.1 44.94 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.036 -1.078 . . . . 0.0 110.935 176.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.454 HG12 ' HB2' ' A' ' 62' ' ' LEU . 33.3 pt -125.91 146.0 32.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.369 0.604 . . . . 0.0 111.289 -177.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.553 ' HB2' ' HB2' ' A' ' 95' ' ' HIS . 60.2 mt-10 -91.71 93.28 8.81 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 173.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.18 154.1 24.43 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.798 -173.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.478 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 79.7 m -113.92 103.74 11.47 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.533 176.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.8 t -80.66 126.41 39.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.182 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -121.03 -87.86 0.98 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.341 -0.933 . . . . 0.0 113.144 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.59 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 6.7 pt-20 -94.69 137.54 33.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.585 0.707 . . . . 0.0 112.452 -173.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -79.81 131.31 35.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.942 177.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 67.7 t -93.45 -70.15 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.801 0.334 . . . . 0.0 111.442 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.93 169.06 25.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.99 0.424 . . . . 0.0 111.304 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.0 p -134.44 146.46 49.83 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.168 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -133.78 133.76 42.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.901 -179.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -101.91 141.04 35.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.195 0.521 . . . . 0.0 110.859 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -152.79 173.68 15.0 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 175.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -121.0 150.81 40.56 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 119.341 -0.944 . . . . 0.0 111.201 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.587 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.6 p -117.99 93.55 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.782 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 171.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.8 m 45.5 71.12 0.3 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.21 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.18 -23.3 8.3 Favored Glycine 0 CA--C 1.522 0.496 0 CA-C-N 116.11 -0.496 . . . . 0.0 114.293 177.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.528 ' HB2' HG11 ' A' ' 79' ' ' VAL . 84.5 mtt180 -93.9 134.31 36.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.566 0.683 . . . . 0.0 110.016 -179.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mp -93.35 114.65 30.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.841 0.353 . . . . 0.0 110.574 -173.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.587 HD11 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -93.19 137.72 21.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.385 0.612 . . . . 0.0 111.053 179.903 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -119.39 99.85 6.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.182 -0.917 . . . . 0.0 108.956 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.622 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 5.8 mp -89.36 129.34 35.91 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.327 -178.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -112.91 112.97 24.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.818 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.422 ' HB2' HD11 ' A' ' 126' ' ' LEU . . . -90.05 110.23 21.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.968 0.413 . . . . 0.0 110.332 177.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -105.34 136.84 44.13 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.149 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.59 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 19.9 t-160 -85.17 114.22 22.12 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.5 t -95.62 102.5 10.26 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 87.3 Cg_endo -85.73 -10.91 7.08 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.784 2.323 . . . . 0.0 112.869 -175.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -155.87 144.49 20.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.361 . . . . 0.0 110.914 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -146.75 149.35 33.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.101 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.553 ' HB2' ' HB2' ' A' ' 65' ' ' GLU . 92.4 m-70 -107.04 128.64 54.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.449 177.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.09 -162.03 12.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.684 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.7 m -130.41 142.34 50.51 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.429 HD11 ' H ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -78.91 132.78 36.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.62 0.724 . . . . 0.0 111.504 -173.468 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.641 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 25.2 pt20 -130.11 158.71 38.91 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.592 176.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -106.24 99.58 9.16 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.47 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 51.8 t-80 -77.71 -70.49 0.47 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.041 178.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.599 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 13.8 mt-10 -85.97 1.77 48.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.318 0.58 . . . . 0.0 110.612 177.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -115.79 174.21 6.14 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.706 -175.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -98.11 -54.35 3.1 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.862 -178.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.63 169.56 18.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.488 0.185 . . . . 0.0 111.429 -176.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -120.72 138.82 53.78 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.72 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.7 p -134.03 145.12 33.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.873 0.368 . . . . 0.0 110.623 174.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 22.7 m-90 -106.63 117.93 35.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.001 175.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.536 ' HB2' ' HB2' ' A' ' 113' ' ' GLU . 18.3 p -136.73 155.69 49.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.722 176.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.505 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 13.7 m -71.8 162.16 74.76 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.236 -176.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.505 ' HD2' ' HB3' ' A' ' 110' ' ' SER . 12.7 Cg_endo -56.38 -19.34 28.17 Favored 'Trans proline' 0 N--CA 1.48 0.72 0 C-N-CA 123.182 2.588 . . . . 0.0 113.152 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -89.13 -37.83 14.78 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.831 177.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.536 ' HB2' ' HB2' ' A' ' 109' ' ' CYS . 8.2 mm-40 -70.2 -38.78 75.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.022 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.26 -38.62 71.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.919 -175.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.521 HD21 HD13 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -77.3 -11.64 59.86 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.112 -176.751 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -84.9 -11.42 55.63 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.051 0.453 . . . . 0.0 110.638 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.446 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 27.0 m-85 -86.9 155.71 55.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.568 178.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.565 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 56.6 Cg_endo -70.35 80.28 1.06 Allowed 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.059 1.84 . . . . 0.0 111.685 177.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 65.3 mt -85.59 152.52 23.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.192 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.559 ' HB1' ' OD1' ' A' ' 123' ' ' ASP . . . -66.14 156.74 83.68 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.569 178.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 120' ' ' ALA . 13.6 Cg_endo -57.07 -16.37 20.92 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.227 2.618 . . . . 0.0 113.762 -177.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.422 ' HB1' HD21 ' A' ' 86' ' ' LEU . . . -95.59 -23.91 16.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.857 0.361 . . . . 0.0 111.02 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.559 ' OD1' ' HB1' ' A' ' 120' ' ' ALA . 1.6 m-20 -81.8 -26.04 34.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.795 -175.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.685 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 74.3 mt -63.85 -60.11 9.82 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.807 -176.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.496 ' HA ' ' OE1' ' A' ' 128' ' ' GLU . 10.9 Cg_endo -54.09 -33.94 75.93 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 122.807 2.338 . . . . 0.0 112.953 -179.034 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.422 HD11 ' HB2' ' A' ' 88' ' ' ALA . 89.1 mt -72.02 -40.65 68.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.808 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.521 HD13 HD21 ' A' ' 115' ' ' LEU . 2.6 tm? -72.88 -37.24 67.39 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -178.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.685 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 42.5 mt-10 -51.19 -43.4 61.33 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.885 177.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.442 ' HA ' ' HB1' ' A' ' 132' ' ' ALA . . . -78.61 -25.15 45.1 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.641 -178.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.481 ' O ' ' HG3' ' A' ' 134' ' ' ARG . 72.7 t80 -70.94 -45.48 64.1 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.8 ptm -69.18 -34.33 74.77 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.002 175.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.442 ' HB1' ' HA ' ' A' ' 129' ' ' ALA . . . -56.93 -44.83 82.85 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.988 0.423 . . . . 0.0 110.931 173.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.43 -35.06 79.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.248 -177.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 130' ' ' PHE . 49.6 mtp85 -79.84 -23.13 42.19 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.9 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -84.23 -37.52 21.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.42 -177.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.543 -176.826 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.433 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 67.5 mtt -112.96 141.64 46.57 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.446 0.641 . . . . 0.0 111.3 -176.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.646 ' HB ' HG22 ' A' ' 84' ' ' ILE . 37.4 mt -113.1 124.42 69.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 114.782 -1.099 . . . . 0.0 108.496 178.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -98.24 124.83 43.05 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -175.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 84.1 t -131.82 136.93 56.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.468 HG11 ' HB2' ' A' ' 87' ' ' HIS . 2.8 m -110.05 138.75 36.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-O 120.965 0.412 . . . . 0.0 110.481 177.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.85 130.98 56.05 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.486 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.461 ' HB2' HD23 ' A' ' 54' ' ' LEU . . . -102.64 114.78 29.3 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.051 0.453 . . . . 0.0 110.071 -178.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.45 HG22 ' CG2' ' A' ' 22' ' ' ILE . 7.3 mt -90.94 99.63 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.67 HG13 HD23 ' A' ' 23' ' ' LEU . 2.1 mm -81.12 102.05 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 -179.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 37.2 tt0 -110.93 119.18 38.22 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.23 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.506 HH12 ' HA ' ' A' ' 93' ' ' ASP . 5.2 tpt180 -137.16 125.28 22.98 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.503 177.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 72.17 7.63 5.77 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.79 0.681 . . . . 0.0 111.841 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.63 10.6 46.66 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.168 -1.015 . . . . 0.0 111.522 -176.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 7.9 mttt -121.52 144.76 48.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 110.467 179.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' A' ' 108' ' ' TRP . 28.3 mt -104.82 150.16 7.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.317 -177.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.67 HD23 HG13 ' A' ' 16' ' ' ILE . 35.4 tp -89.87 122.45 32.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.236 0.541 . . . . 0.0 111.231 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.765 HD12 ' HG ' ' A' ' 109' ' ' CYS . 6.1 mp -117.18 138.52 51.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.892 177.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.04 121.35 38.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.023 0.44 . . . . 0.0 111.489 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.116 -178.132 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.436 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.54 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 6.7 mp -78.93 151.72 31.54 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.136 0.493 . . . . 0.0 111.197 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.436 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 39.3 m95 -110.72 147.13 35.03 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.221 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -136.3 163.6 30.05 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.553 0.216 . . . . 0.0 110.464 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.554 ' HZ ' HD21 ' A' ' 127' ' ' LEU . 96.5 m-85 -80.77 118.39 22.26 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 174.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.06 144.09 30.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.225 -177.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.05 -137.75 4.72 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.53 ' HA3' ' HG3' ' A' ' 57' ' ' GLU . . . 172.86 169.7 35.73 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.15 -1.024 . . . . 0.0 113.143 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -78.02 146.28 35.45 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.414 -0.393 . . . . 0.0 110.326 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.6 t -98.85 125.44 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.154 -175.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -88.79 145.72 35.47 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.71 1.16 2.39 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.548 2.165 . . . . 0.0 112.846 -176.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -106.56 -3.12 21.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.956 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.596 ' HB2' HE21 ' A' ' 52' ' ' GLN . 13.0 pt-20 -131.03 170.87 13.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.117 0.484 . . . . 0.0 111.569 -178.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.2 t -93.12 155.67 17.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.662 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -60.31 -49.35 77.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.857 0.361 . . . . 0.0 110.712 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.492 ' O ' HG21 ' A' ' 55' ' ' VAL . 73.5 mtt180 -62.36 -38.68 90.47 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.176 0.513 . . . . 0.0 110.199 176.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.596 HE21 ' HB2' ' A' ' 48' ' ' GLU . 27.2 tt0 -67.95 -40.05 83.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.381 -174.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.93 94.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.332 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.668 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 28.6 mt -60.23 -47.06 87.55 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.899 0.381 . . . . 0.0 110.773 176.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' ' 51' ' ' ARG . 69.6 t -60.1 -46.93 93.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.335 -177.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -70.92 -39.85 72.46 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.203 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.53 ' HG3' ' HA3' ' A' ' 42' ' ' GLY . 5.1 mm-40 -63.55 -44.58 93.74 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 177.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 39.7 mt -66.31 -31.81 72.84 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.46 -178.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -62.82 -31.89 72.97 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.846 174.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -86.69 -39.85 15.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.225 -178.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.649 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 70.7 mm-40 -92.12 -43.49 9.34 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -176.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.673 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 65.7 mt -106.06 4.57 29.4 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.647 -173.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.28 25.5 26.27 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 114.765 0.666 . . . . 0.0 114.765 -178.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.4 pt -127.35 145.38 34.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 117.98 0.89 . . . . 0.0 111.988 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.526 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 35.4 mt-10 -93.67 95.07 8.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.123 -0.944 . . . . 0.0 108.626 174.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.22 156.97 22.89 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.221 0.534 . . . . 0.0 111.682 -174.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.48 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 55.2 m -114.46 104.02 11.62 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.172 175.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.454 ' HB ' ' HB3' ' A' ' 51' ' ' ARG . 41.4 t -82.95 132.44 31.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.04 -176.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -137.03 -76.8 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.359 -0.924 . . . . 0.0 113.459 -175.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.59 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 15.7 pt-20 -91.06 131.6 36.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.443 0.64 . . . . 0.0 111.835 -172.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.623 ' HE1' ' HB3' ' A' ' 87' ' ' HIS . 11.7 t80 -83.16 134.25 34.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.795 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.478 HG11 HD22 ' A' ' 133' ' ' LEU . 97.0 t -95.17 -69.84 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.708 0.29 . . . . 0.0 111.253 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -158.43 175.26 13.93 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.46 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.448 ' CB ' ' HH ' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -134.8 154.08 51.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.473 176.185 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -143.8 144.58 31.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.73 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.487 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 75.0 mt-30 -113.16 135.15 54.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.138 0.494 . . . . 0.0 111.08 177.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.581 HH11 ' HB1' ' A' ' 122' ' ' ALA . 23.3 ptt180 -138.29 158.36 44.44 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 8.3 pt-20 -104.04 138.04 41.14 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 119.53 -0.868 . . . . 0.0 111.402 -176.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.606 ' HB ' HD12 ' A' ' 84' ' ' ILE . 3.3 p -119.7 95.58 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.641 174.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.9 m 47.41 68.41 0.65 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.864 -178.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 81.59 -14.71 28.69 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 121.009 -0.615 . . . . 0.0 114.553 178.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.496 ' HB2' HG13 ' A' ' 79' ' ' VAL . 89.0 mtt180 -102.28 148.83 24.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.635 0.717 . . . . 0.0 110.075 -178.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.433 ' O ' ' HA ' ' A' ' 8' ' ' MET . 2.0 mp -104.56 115.75 47.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 120.781 0.324 . . . . 0.0 110.388 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.646 HG22 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -90.55 138.55 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.061 0.458 . . . . 0.0 110.29 177.871 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -117.61 100.75 7.84 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.62 -177.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.444 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 8.1 mp -88.8 129.96 35.46 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.812 0.339 . . . . 0.0 110.692 -177.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.623 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . 84.3 m-70 -111.46 112.91 24.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.786 178.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.79 117.25 29.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.754 0.311 . . . . 0.0 110.612 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -110.56 141.29 43.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.247 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.59 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 31.3 t-80 -85.99 123.04 30.87 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.9 t -90.02 106.55 14.92 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.812 0.339 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.48 ' HD2' ' O ' ' A' ' 67' ' ' THR . 71.7 Cg_endo -76.75 -27.55 7.19 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.924 2.416 . . . . 0.0 112.578 -177.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.506 ' HA ' HH12 ' A' ' 18' ' ' ARG . 5.1 t70 -159.95 154.62 24.2 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.667 0.27 . . . . 0.0 111.125 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -147.13 142.91 27.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.443 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.526 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 41.4 t60 -98.74 120.44 39.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.842 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.13 -159.71 18.74 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.506 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 32.1 m -121.86 126.96 49.91 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -77.6 120.85 23.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.274 0.559 . . . . 0.0 111.033 -172.38 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.673 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 3.4 pt20 -128.2 170.85 12.52 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.235 -177.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.437 ' HB1' HD11 ' A' ' 106' ' ' LEU . . . -114.08 117.53 31.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.862 0.363 . . . . 0.0 111.338 178.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.622 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 29.9 t-80 -90.49 -77.47 0.4 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.888 -179.053 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.649 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 18.4 mm-40 -83.87 -21.11 32.09 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.433 0.635 . . . . 0.0 110.635 -179.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -89.67 142.01 28.08 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.263 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -77.43 -56.89 4.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.885 0.374 . . . . 0.0 111.663 -171.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -118.33 154.75 31.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.987 -176.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.518 ' HG ' HD11 ' A' ' 23' ' ' LEU . 1.6 tp -131.55 126.03 33.82 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.77 145.07 35.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.97 0.414 . . . . 0.0 110.637 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.458 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 38.3 p90 -113.3 117.03 30.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.425 0.631 . . . . 0.0 109.452 173.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.765 ' HG ' HD12 ' A' ' 24' ' ' LEU . 24.6 p -137.46 156.86 47.66 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.318 -176.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.5 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 5.1 m -64.64 155.18 82.74 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -177.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.549 ' O ' HD11 ' A' ' 127' ' ' LEU . 3.1 Cg_endo -46.56 -50.63 10.14 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.244 2.63 . . . . 0.0 113.397 -177.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.14 -24.84 62.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.756 0.312 . . . . 0.0 111.372 -176.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.5 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 25.0 mm-40 -73.79 -37.3 65.0 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.77 -34.95 68.1 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.862 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.605 ' HG ' HD12 ' A' ' 127' ' ' LEU . 14.1 mt -76.47 -11.65 59.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.546 -178.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -85.97 -4.94 59.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.275 0.559 . . . . 0.0 109.977 176.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -94.08 160.12 32.85 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.287 176.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.54 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 59.6 Cg_endo -73.14 78.1 2.29 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.827 1.685 . . . . 0.0 111.838 175.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.485 HD12 HD23 ' A' ' 115' ' ' LEU . 71.6 mt -82.74 153.6 25.22 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.307 177.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.634 ' HB3' ' HD2' ' A' ' 121' ' ' PRO . . . -63.37 160.65 39.89 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.634 ' HD2' ' HB3' ' A' ' 120' ' ' ALA . 10.3 Cg_endo -51.8 -37.28 65.28 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.554 2.836 . . . . 0.0 114.19 -173.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.581 ' HB1' HH11 ' A' ' 77' ' ' ARG . . . -92.61 -13.88 28.98 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.87 -177.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.558 ' OD1' ' HB2' ' A' ' 120' ' ' ALA . 1.0 OUTLIER -78.93 -27.11 43.66 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.169 -175.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.637 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 41.5 mm -62.28 -61.97 6.65 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.989 176.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.564 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 10.9 Cg_endo -55.64 -31.9 81.32 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 122.936 2.424 . . . . 0.0 113.348 178.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 70.7 mt -67.59 -40.01 84.8 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-O 121.066 0.46 . . . . 0.0 110.136 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.605 HD12 ' HG ' ' A' ' 115' ' ' LEU . 2.0 tm? -73.72 -37.39 65.15 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.457 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.637 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 36.4 mt-10 -57.39 -40.43 78.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.704 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.39 -26.0 51.38 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.395 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.445 ' HD1' HG12 ' A' ' 72' ' ' VAL . 75.2 t80 -69.91 -45.49 67.44 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.1 ptm -68.93 -33.4 73.66 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.731 175.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.33 -43.22 88.15 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-O 120.901 0.381 . . . . 0.0 110.952 171.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.478 HD22 HG11 ' A' ' 72' ' ' VAL . 2.7 mp -64.2 -42.49 96.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.685 -179.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -73.13 -21.88 60.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.804 -178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -92.16 -39.71 11.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.643 0.259 . . . . 0.0 111.599 -177.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.157 -178.485 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.8 mtm -100.4 139.31 36.27 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.33 0.586 . . . . 0.0 110.337 173.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.623 ' HB ' HG22 ' A' ' 84' ' ' ILE . 35.0 mt -104.78 114.54 44.66 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 176.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -88.75 126.7 35.45 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -174.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.691 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 87.2 t -130.37 117.35 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.04 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.544 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 3.4 m -97.99 132.72 42.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.498 -178.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.48 126.76 53.84 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -177.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.482 ' HB1' HD23 ' A' ' 54' ' ' LEU . . . -102.04 113.59 26.96 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.258 0.551 . . . . 0.0 109.732 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.437 HG21 ' CG2' ' A' ' 22' ' ' ILE . 7.5 mt -86.4 102.22 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.833 HG13 HD23 ' A' ' 23' ' ' LEU . 2.3 mm -81.37 100.8 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -177.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.688 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . 4.4 tt0 -112.16 108.72 18.08 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 18' ' ' ARG . 4.3 tpt180 -130.72 130.48 43.87 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.067 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 64.0 17.27 10.49 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.629 0.581 . . . . 0.0 110.974 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.26 4.25 66.64 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.702 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 6.3 mmtt -112.4 143.69 43.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.979 0.389 . . . . 0.0 110.48 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.559 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 43.9 mt -104.46 146.33 11.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.863 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.833 HD23 HG13 ' A' ' 16' ' ' ILE . 63.1 tp -89.8 121.62 32.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.227 0.537 . . . . 0.0 111.627 -178.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.488 ' N ' HD13 ' A' ' 24' ' ' LEU . 3.7 mp -112.3 138.78 48.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.109 174.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.06 121.32 31.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.029 0.443 . . . . 0.0 111.574 -176.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.465 -177.069 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.507 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.5 mt -80.09 154.13 28.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.906 0.384 . . . . 0.0 110.758 177.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.636 ' HD1' ' HG2' ' A' ' 118' ' ' PRO . 34.2 m95 -118.95 149.84 40.93 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.41 ' HG2' ' HB3' ' A' ' 120' ' ' ALA . 46.4 mt-10 -145.21 165.7 27.59 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 174.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -73.04 143.48 47.48 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.01 153.25 42.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.901 0.382 . . . . 0.0 110.539 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 155.49 -134.0 3.99 Favored Glycine 0 N--CA 1.44 -1.037 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -175.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.499 ' HA3' ' OE2' ' A' ' 57' ' ' GLU . . . 163.71 -154.8 25.87 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 119.745 -1.216 . . . . 0.0 113.445 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.437 ' HE3' HG22 ' A' ' 9' ' ' ILE . 84.4 tttt -105.9 148.69 27.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.829 0.347 . . . . 0.0 110.606 -172.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.2 t -105.95 110.59 31.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.405 ' C ' ' H ' ' A' ' 47' ' ' ASP . 38.4 mt-10 -93.53 152.85 41.23 Favored Pre-proline 0 C--N 1.315 -0.923 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -67.94 19.73 0.13 Allowed 'Trans proline' 0 N--CA 1.478 0.562 0 C-N-CA 123.28 2.654 . . . . 0.0 114.724 -167.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 45' ' ' GLU . 16.1 t70 -119.25 -3.94 10.51 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.925 0.393 . . . . 0.0 110.804 175.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -126.79 165.14 19.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.226 0.536 . . . . 0.0 111.742 -177.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' A' ' 52' ' ' GLN . 31.5 t -88.06 154.93 20.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.534 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -60.32 -47.59 85.36 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.816 0.341 . . . . 0.0 110.865 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.558 ' O ' HG22 ' A' ' 55' ' ' VAL . 86.1 mtm180 -66.46 -41.61 88.81 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 120.998 0.427 . . . . 0.0 109.884 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.415 ' HB3' ' HB3' ' A' ' 49' ' ' SER . 0.4 OUTLIER -69.2 -32.23 71.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.217 -175.883 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -59.8 -48.64 80.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.062 176.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.682 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.8 mt -62.24 -45.99 90.84 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.017 0.437 . . . . 0.0 110.392 177.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 51' ' ' ARG . 76.3 t -56.97 -46.57 83.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.928 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.604 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.8 ppt_? -76.03 -40.41 53.54 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.49 -177.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.499 ' OE2' ' HA3' ' A' ' 42' ' ' GLY . 7.3 mm-40 -59.48 -45.77 90.7 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.633 0.254 . . . . 0.0 111.353 178.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.682 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 23.6 mt -68.64 -33.89 74.78 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 121.194 0.521 . . . . 0.0 109.779 178.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 3.7 ttm180 -60.19 -35.8 76.21 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.037 175.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.604 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 24.9 mt-10 -87.62 -40.02 14.56 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.895 -177.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.62 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 3.1 mm-40 -88.16 -50.39 6.41 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.684 -179.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.696 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 55.0 mt -96.94 5.05 51.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.806 -170.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.88 27.79 30.05 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.205 -0.522 . . . . 0.0 114.367 -176.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.2 pt -129.3 135.78 60.98 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 CA-C-N 117.749 0.774 . . . . 0.0 111.561 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.552 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 27.1 mt-10 -91.6 94.85 9.61 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 176.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.449 ' O ' HG21 ' A' ' 55' ' ' VAL . . . -84.66 161.8 19.96 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.134 -172.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 93' ' ' ASP . 14.3 t -116.13 143.89 44.89 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 172.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.1 t -108.87 119.68 58.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -163.63 56.71 0.28 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 119.419 -1.372 . . . . 0.0 114.318 -174.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.542 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 12.2 pt-20 161.63 106.84 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.092 0.957 . . . . 0.0 109.621 177.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.517 ' HA ' ' CD1' ' A' ' 89' ' ' TRP . 80.9 t80 -80.4 131.14 35.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.803 -175.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 85.0 t -96.99 -71.19 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.525 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -161.86 -178.5 6.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 0.0 111.576 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.1 p -140.49 154.42 46.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.024 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.52 ' CD2' ' HA ' ' A' ' 122' ' ' ALA . 80.2 t60 -144.42 145.79 32.11 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 175.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.41 HE21 HG22 ' A' ' 83' ' ' ILE . 44.8 mt-30 -111.59 141.02 45.72 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.325 0.583 . . . . 0.0 111.559 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.572 ' HD3' ' HB1' ' A' ' 122' ' ' ALA . 33.3 ptt180 -146.5 158.77 43.95 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 106.5 -1.666 . . . . 0.0 106.5 176.04 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -112.89 151.04 30.95 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 119.342 -0.943 . . . . 0.0 111.082 -177.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.571 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.5 p -120.36 93.11 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 170.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.7 m 39.22 76.35 0.06 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.919 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.01 -24.34 9.24 Favored Glycine 0 CA--C 1.517 0.198 0 CA-C-N 115.811 -0.631 . . . . 0.0 114.242 175.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.514 ' HB2' HG13 ' A' ' 79' ' ' VAL . 73.7 mtt85 -93.62 133.61 36.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.455 0.628 . . . . 0.0 110.137 178.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.413 ' N ' HD13 ' A' ' 83' ' ' ILE . 2.1 mp -93.94 113.69 29.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -176.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.623 HG22 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -88.28 129.27 39.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.196 0.522 . . . . 0.0 109.622 179.056 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -111.0 105.3 14.02 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.542 -173.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.691 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.3 mp -93.01 123.07 35.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.102 0.477 . . . . 0.0 111.448 -177.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -106.29 115.3 29.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.995 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -97.73 116.86 30.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.049 0.452 . . . . 0.0 111.064 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.517 ' CD1' ' HA ' ' A' ' 71' ' ' TYR . 1.7 m-90 -117.62 152.13 35.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.374 175.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.688 ' NE2' ' HB3' ' A' ' 17' ' ' GLU . 10.2 t-160 -99.69 127.54 45.81 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 173.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.1 m -90.8 107.83 23.36 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-O 121.149 0.499 . . . . 0.0 110.136 176.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.74 -23.43 19.3 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.581 2.188 . . . . 0.0 112.163 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.403 ' O ' HG22 ' A' ' 67' ' ' THR . 19.7 t70 -150.92 143.99 24.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 -177.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -137.25 167.85 20.77 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.654 177.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.552 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 10.5 t60 -122.75 119.87 31.93 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -177.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.75 -156.8 15.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.24 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 87.4 m -124.32 132.2 53.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -73.99 120.37 19.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.28 0.562 . . . . 0.0 110.936 -174.364 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.696 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 11.0 pt20 -131.18 171.07 13.72 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.565 -178.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -113.75 109.35 18.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.047 0.451 . . . . 0.0 111.415 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.62 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 36.8 t60 -86.46 -67.52 0.81 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.774 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.469 ' HB2' ' CD ' ' A' ' 61' ' ' GLU . 16.7 mt-10 -93.19 -36.99 12.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.356 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.416 ' HD1' ' CD ' ' A' ' 61' ' ' GLU . 67.3 m80 -69.02 144.96 53.92 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 173.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -86.0 -68.27 0.75 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.771 -0.371 . . . . 0.0 111.637 -171.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -110.67 149.2 30.79 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.1 mp -129.64 134.42 47.67 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 120.912 0.387 . . . . 0.0 110.249 -178.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.1 m -127.59 143.66 39.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.596 178.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 7.6 p90 -110.97 117.0 32.16 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.501 173.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 113' ' ' GLU . 29.0 p -142.4 156.12 45.18 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.982 -178.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 m -61.17 156.8 47.53 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.456 ' O ' HD11 ' A' ' 127' ' ' LEU . 1.4 Cg_endo -46.6 -46.37 17.83 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.815 2.343 . . . . 0.0 112.806 177.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.53 -33.03 74.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.48 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.437 ' HA ' ' OE1' ' A' ' 116' ' ' GLN . 19.1 mm-40 -72.66 -35.94 67.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.286 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.07 -38.71 76.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.262 -175.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.718 HD12 HG22 ' A' ' 124' ' ' ILE . 0.2 OUTLIER -72.82 -11.12 60.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.554 0.216 . . . . 0.0 111.324 -175.781 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.437 ' OE1' ' HA ' ' A' ' 113' ' ' GLU . 50.5 mt-30 -82.02 -10.18 59.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.864 0.364 . . . . 0.0 110.758 176.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -93.52 160.44 32.98 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.866 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.636 ' HG2' ' HD1' ' A' ' 37' ' ' TRP . 68.0 Cg_endo -72.35 72.07 2.95 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.201 1.934 . . . . 0.0 111.473 178.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.625 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 76.8 mt -79.87 151.54 30.13 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 176.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.496 ' HB1' ' OD1' ' A' ' 123' ' ' ASP . . . -61.34 155.06 59.86 Favored Pre-proline 0 C--N 1.327 -0.409 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.746 178.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.5 -4.65 4.54 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.082 2.522 . . . . 0.0 112.891 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.575 ' O ' ' HG ' ' A' ' 126' ' ' LEU . . . -99.25 -31.44 11.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.775 0.321 . . . . 0.0 110.44 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.496 ' OD1' ' HB1' ' A' ' 120' ' ' ALA . 1.6 m-20 -79.61 -25.09 41.57 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.676 -175.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.718 HG22 HD12 ' A' ' 115' ' ' LEU . 85.4 mt -61.92 -58.67 16.53 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.17 178.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.482 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 11.4 Cg_endo -57.71 -26.42 73.04 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 122.541 2.161 . . . . 0.0 112.874 176.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 97.3 mt -73.82 -45.59 50.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.099 0.476 . . . . 0.0 109.932 179.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.49 HD12 HD22 ' A' ' 115' ' ' LEU . 3.1 tm? -69.56 -38.16 77.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.75 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -49.6 -45.92 48.56 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.892 175.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.525 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . . . -84.27 -14.28 50.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.65 -178.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -76.43 -46.94 24.87 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.1 ptm -70.15 -29.2 66.05 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.588 175.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.525 ' HB2' ' HA ' ' A' ' 129' ' ' ALA . . . -64.38 -40.17 95.29 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 120.677 0.275 . . . . 0.0 110.834 171.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.56 -39.36 84.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.553 -177.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.431 ' HD2' ' OE2' ' A' ' 17' ' ' GLU . 19.2 mtp180 -70.52 -24.32 62.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.406 178.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.12 -35.3 15.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.78 -177.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.397 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -177.725 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 120.954 0.407 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.2 mtt -95.29 134.25 38.27 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.838 176.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.516 HD11 HG13 ' A' ' 79' ' ' VAL . 19.7 mt -104.97 110.31 30.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 177.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -95.27 125.19 39.73 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 120.259 -0.576 . . . . 0.0 109.525 -173.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 98.8 t -127.86 125.66 65.34 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.432 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 2.7 m -98.54 130.25 47.65 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.4 125.21 52.16 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 -176.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.501 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -100.85 113.13 25.79 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.352 -177.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.446 HG12 ' CD1' ' A' ' 39' ' ' PHE . 6.3 mt -91.45 100.04 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.238 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.885 HG13 HD21 ' A' ' 23' ' ' LEU . 2.6 mm -84.19 101.36 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.586 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . 5.2 tm-20 -119.52 120.91 38.14 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -176.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -148.36 137.51 21.88 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.383 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 66.95 17.46 10.52 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.415 0.447 . . . . 0.0 111.221 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.4 10.98 72.88 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.569 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.514 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -119.18 149.55 41.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 117.06 0.43 . . . . 0.0 110.358 176.526 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.439 ' CG2' HG21 ' A' ' 15' ' ' ILE . 41.0 mt -107.51 139.77 28.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.108 177.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.885 HD21 HG13 ' A' ' 16' ' ' ILE . 41.3 tp -77.24 114.98 16.64 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.276 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.586 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 22.9 mt -109.54 136.24 49.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.9 173.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.417 ' HB1' ' CB ' ' A' ' 103' ' ' HIS . . . -118.19 120.37 37.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.994 -177.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.733 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.287 0 CA-C-O 120.779 0.099 . . . . 0.0 113.194 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.462 ' HA ' ' HG2' ' A' ' 118' ' ' PRO . 17.8 mt -77.32 147.23 36.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.709 0.29 . . . . 0.0 111.183 -177.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.586 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 39.4 m95 -116.43 153.25 32.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -153.11 175.73 12.69 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.446 ' CD1' HG12 ' A' ' 15' ' ' ILE . 89.7 m-85 -83.38 150.01 26.35 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.52 161.92 27.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.92 -134.48 4.73 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.56 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.544 ' HA3' ' OE2' ' A' ' 57' ' ' GLU . . . 163.25 -179.55 38.35 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.21 -0.995 . . . . 0.0 113.121 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -80.27 148.69 30.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.936 0.398 . . . . 0.0 110.527 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.4 t -102.0 124.99 56.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.673 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -82.48 147.87 57.29 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 175.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.29 -5.29 5.02 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 122.755 2.303 . . . . 0.0 113.28 -177.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -106.87 5.23 28.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.616 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -135.36 155.63 50.27 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 177.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.6 t -90.31 166.85 13.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.773 0.321 . . . . 0.0 110.655 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -60.45 -43.24 97.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.34 -176.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -64.66 -42.75 95.19 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.391 0.615 . . . . 0.0 109.783 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -65.31 -41.42 94.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.646 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.15 -45.84 91.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.674 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.692 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 37.5 mt -60.63 -47.13 87.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.889 0.376 . . . . 0.0 110.717 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 65.2 t -59.11 -48.64 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.226 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.547 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 5.6 ppt_? -70.32 -41.76 72.85 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.364 -177.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.544 ' OE2' ' HA3' ' A' ' 42' ' ' GLY . 5.1 mm-40 -60.4 -47.27 86.82 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 31.5 mt -66.96 -33.33 75.35 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.081 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -61.2 -35.74 78.01 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.204 175.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 23.9 mt-10 -86.88 -36.71 18.26 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.275 -177.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.55 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 4.2 mt-10 -86.24 -53.99 4.71 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.644 179.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.696 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 50.5 mt -99.16 2.92 46.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.187 -168.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 50.39 30.15 18.2 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 114.403 0.521 . . . . 0.0 114.403 -174.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.568 HG12 ' HB2' ' A' ' 62' ' ' LEU . 42.8 pt -121.27 142.73 36.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 117.793 0.797 . . . . 0.0 111.449 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -96.41 98.28 10.13 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.358 174.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.609 ' HB1' ' HH2' ' A' ' 89' ' ' TRP . . . -88.33 156.47 19.15 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.191 0.52 . . . . 0.0 112.04 -173.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.8 m -112.79 113.77 26.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.305 176.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.9 t -89.32 133.05 32.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.404 0.145 . . . . 0.0 110.848 -176.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.413 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . 175.16 62.06 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.707 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 70' ' ' GLU . 11.2 pt-20 155.09 99.24 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.519 1.127 . . . . 0.0 109.766 -178.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.492 ' CD1' ' HB2' ' A' ' 89' ' ' TRP . 46.8 m-85 -95.95 146.11 24.87 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.908 -0.495 . . . . 0.0 111.0 -178.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.427 HG13 HD11 ' A' ' 133' ' ' LEU . 61.8 t -93.15 -69.65 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.888 -175.143 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -155.48 172.7 17.8 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.343 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.1 m -130.91 150.92 51.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.387 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -145.1 148.75 33.99 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -110.83 140.69 45.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.041 0.448 . . . . 0.0 111.285 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.732 HH11 ' HB1' ' A' ' 122' ' ' ALA . 27.9 ptt180 -144.51 167.31 22.8 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 174.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -120.59 149.74 41.98 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 119.118 -1.033 . . . . 0.0 111.952 -179.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.573 ' HB ' HD12 ' A' ' 84' ' ' ILE . 2.6 p -121.99 95.96 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.177 -0.92 . . . . 0.0 108.899 173.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.5 p 43.97 71.87 0.22 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.156 -176.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.38 -22.64 8.34 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 120.97 -0.633 . . . . 0.0 114.388 176.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.518 ' HB2' HG12 ' A' ' 79' ' ' VAL . 72.1 mtt85 -93.95 137.86 32.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 117.523 0.662 . . . . 0.0 110.225 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mp -95.35 114.91 33.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.14 0.495 . . . . 0.0 110.494 -176.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.573 HD12 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -89.48 128.4 41.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.352 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -108.86 106.56 16.6 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.713 -177.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.543 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.5 mp -99.87 128.46 45.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.654 0.264 . . . . 0.0 110.698 -179.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -119.64 116.92 26.98 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 175.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.58 133.58 34.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.924 0.392 . . . . 0.0 111.067 -178.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.609 ' HH2' ' HB1' ' A' ' 66' ' ' ALA . 6.9 t90 -129.66 135.8 48.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.541 -178.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.586 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 35.8 t-80 -92.83 132.41 37.01 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.671 HG13 ' HA ' ' A' ' 16' ' ' ILE . 7.4 p -89.14 110.91 41.75 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-O 121.486 0.66 . . . . 0.0 111.46 -175.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.432 ' HB3' ' OE2' ' A' ' 70' ' ' GLU . 56.3 Cg_endo -73.95 -28.47 11.15 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.596 2.197 . . . . 0.0 111.926 177.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -158.19 142.23 15.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.734 -178.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.432 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 38.5 p90 -146.54 141.18 26.75 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.815 176.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -110.09 119.69 40.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.541 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 131.19 -167.08 22.57 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.269 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.7 m -119.69 122.31 41.21 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.574 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -76.41 124.12 27.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.695 0.76 . . . . 0.0 111.299 -172.165 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.696 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 12.3 pt20 -132.0 169.61 16.09 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.367 -177.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 103' ' ' HIS . . . -111.24 119.61 39.51 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.879 0.371 . . . . 0.0 111.086 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -110.19 -56.85 2.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.511 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.55 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 47.1 mm-40 -83.16 -45.63 13.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.676 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.428 ' O ' ' HB3' ' A' ' 100' ' ' ALA . 75.2 m80 -80.9 163.42 23.38 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 171.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -87.02 -65.57 1.0 Allowed 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -171.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.68 164.76 20.57 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 122.323 -0.235 . . . . 0.0 111.266 -175.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.478 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.8 mm? -119.52 139.78 51.57 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.0 p -132.23 140.61 47.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.669 0.271 . . . . 0.0 110.658 171.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -99.92 111.04 23.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.877 0.37 . . . . 0.0 110.639 176.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 12.8 p -129.22 148.15 51.13 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.382 177.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.544 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 2.7 m -60.7 160.44 19.54 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.517 -179.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.619 ' O ' HD12 ' A' ' 127' ' ' LEU . 5.1 Cg_endo -47.97 -54.49 5.13 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.866 2.377 . . . . 0.0 112.815 177.133 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.55 -27.19 65.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.723 0.297 . . . . 0.0 111.373 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.544 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 70.2 mm-40 -73.21 -35.31 66.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.19 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.61 -38.68 85.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.772 -177.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.608 HD13 HG23 ' A' ' 124' ' ' ILE . 0.2 OUTLIER -73.33 -14.03 61.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.105 0.478 . . . . 0.0 110.572 -177.332 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -83.52 -11.79 57.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.199 0.523 . . . . 0.0 110.119 175.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -87.15 162.35 43.73 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.543 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.462 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 58.3 Cg_endo -72.58 79.07 1.93 Allowed 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 121.927 1.751 . . . . 0.0 112.167 177.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 73.0 mt -86.66 153.88 21.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.608 177.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.492 ' HB1' ' OD1' ' A' ' 123' ' ' ASP . . . -65.72 155.77 85.09 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.751 178.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 120' ' ' ALA . 9.7 Cg_endo -52.8 -30.03 45.28 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.524 2.816 . . . . 0.0 114.247 -175.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.732 ' HB1' HH11 ' A' ' 77' ' ' ARG . . . -93.02 -18.03 23.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.975 0.417 . . . . 0.0 111.117 -178.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.492 ' OD1' ' HB1' ' A' ' 120' ' ' ALA . 1.2 m-20 -81.69 -24.1 36.43 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.483 -176.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.608 HG23 HD13 ' A' ' 115' ' ' LEU . 77.2 mt -61.21 -59.61 13.18 Favored Pre-proline 0 CA--C 1.54 0.592 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.846 176.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.5 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 10.3 Cg_endo -53.6 -30.7 56.35 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.925 2.417 . . . . 0.0 113.119 177.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 98.6 mt -71.19 -46.85 60.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.132 0.491 . . . . 0.0 110.178 -178.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.619 HD12 ' O ' ' A' ' 111' ' ' PRO . 3.3 tm? -72.15 -37.79 69.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.086 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.57 -40.37 65.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.137 177.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.427 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . . . -79.73 -26.02 40.92 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 120.554 -0.459 . . . . 0.0 111.273 177.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.465 ' HB3' HD22 ' A' ' 127' ' ' LEU . 86.8 t80 -65.95 -45.83 80.35 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 15.4 ptp -69.46 -37.42 77.32 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.988 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.427 ' HB2' ' HA ' ' A' ' 129' ' ' ALA . . . -58.48 -44.18 89.27 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.077 0.465 . . . . 0.0 111.432 177.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.427 HD11 HG13 ' A' ' 72' ' ' VAL . 45.1 mt -64.49 -45.4 87.5 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.032 -177.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 36.7 mtp85 -75.88 -16.9 59.97 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.763 -177.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.96 -38.29 12.35 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 177.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -175.014 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.8 mttm . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.451 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 70.3 mtm -102.43 138.12 39.77 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.385 0.612 . . . . 0.0 111.185 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.646 ' HB ' HG21 ' A' ' 84' ' ' ILE . 42.1 mt -112.75 117.93 56.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 114.704 -1.135 . . . . 0.0 108.294 178.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -92.62 124.64 36.79 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -175.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.582 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 57.9 t -125.49 128.02 72.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -179.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.471 ' HB ' HD21 ' A' ' 54' ' ' LEU . 3.1 m -106.96 128.95 61.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.301 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.39 124.1 51.66 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.86 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.488 ' HB2' HD23 ' A' ' 54' ' ' LEU . . . -101.82 112.77 25.49 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.443 -177.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.444 HG22 ' CG2' ' A' ' 22' ' ' ILE . 7.5 mt -92.79 100.25 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.14 177.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.749 HD12 HG22 ' A' ' 91' ' ' VAL . 1.2 mm -81.37 101.78 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . 6.1 tm-20 -123.35 124.02 42.02 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.182 0.515 . . . . 0.0 109.697 -174.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -145.46 137.71 25.68 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.376 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 67.99 2.63 3.22 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.645 0.59 . . . . 0.0 112.183 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.98 10.02 40.99 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.288 -0.958 . . . . 0.0 112.134 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -123.14 144.97 48.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.817 0.341 . . . . 0.0 110.184 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.444 ' CG2' HG22 ' A' ' 15' ' ' ILE . 35.3 mt -106.51 149.07 10.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.886 -175.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.618 ' HB2' ' HB ' ' A' ' 16' ' ' ILE . 1.4 tt -85.74 120.06 26.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.29 178.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.479 HD11 ' SG ' ' A' ' 109' ' ' CYS . 7.3 mp -118.01 134.28 55.12 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.907 175.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.91 126.36 53.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.475 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 . . . . . 0 C--N 1.322 -0.615 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 175.927 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.547 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' A' ' 118' ' ' PRO . 17.3 mt -76.66 150.78 36.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.783 0.325 . . . . 0.0 111.299 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.464 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 50.1 m95 -115.35 148.79 38.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.363 176.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -140.73 163.61 32.43 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 175.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.454 ' HZ ' HD23 ' A' ' 127' ' ' LEU . 68.7 m-85 -76.24 159.18 30.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 174.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.465 ' CB ' HD12 ' A' ' 62' ' ' LEU . . . -82.21 164.88 20.92 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.316 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.15 -133.09 5.49 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.578 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' HG12 ' A' ' 11' ' ' VAL . . . 160.16 -146.23 12.34 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.525 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.54 ' HG2' ' N ' ' A' ' 44' ' ' VAL . 54.7 tttt -111.36 153.99 25.22 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.931 0.396 . . . . 0.0 110.316 -175.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.54 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 38.3 t -106.77 106.29 20.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.256 177.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -68.12 150.1 97.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 176.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -60.85 0.93 0.66 Allowed 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 123.072 2.515 . . . . 0.0 114.595 -172.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -108.91 -15.48 14.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.992 0.425 . . . . 0.0 111.946 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -108.52 159.73 16.47 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.962 -176.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.5 t -93.47 165.05 12.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.422 -178.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -59.19 -55.07 39.65 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 122.401 0.28 . . . . 0.0 111.154 -178.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.494 ' HG2' HG11 ' A' ' 68' ' ' VAL . 76.5 mtt180 -62.56 -36.78 83.74 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.382 -179.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.433 HE21 ' HB2' ' A' ' 52' ' ' GLN . 1.5 tt0 -67.99 -40.67 83.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.207 -178.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.07 -48.25 81.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.83 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.583 ' O ' HD12 ' A' ' 58' ' ' LEU . 28.1 mt -61.75 -44.34 97.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.68 0.276 . . . . 0.0 110.736 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.23 -45.98 97.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.241 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.628 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.0 ppt_? -75.05 -40.11 60.56 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.649 -176.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.12 -53.75 54.8 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.638 0.256 . . . . 0.0 111.385 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 54' ' ' LEU . 9.2 mp -59.14 -35.49 73.58 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-O 120.651 0.262 . . . . 0.0 111.12 176.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -61.84 -33.75 74.73 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.724 0.297 . . . . 0.0 111.065 176.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.628 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 29.1 mt-10 -87.71 -41.04 13.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.896 0.379 . . . . 0.0 111.002 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.489 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 81.8 mm-40 -87.88 -49.7 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -176.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.668 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 65.2 mt -99.85 3.78 44.83 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.815 -173.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.32 25.47 26.43 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 121.203 -0.522 . . . . 0.0 114.383 -175.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.536 HG12 ' HB2' ' A' ' 62' ' ' LEU . 42.8 pt -119.23 144.47 27.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 117.763 0.781 . . . . 0.0 111.763 -178.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -100.81 101.15 11.93 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.482 174.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.542 ' HA ' ' HA ' ' A' ' 94' ' ' PHE . . . -96.44 157.92 15.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.595 -170.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.5 m -110.44 111.0 21.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.293 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.533 ' HA ' ' CE2' ' A' ' 89' ' ' TRP . 33.9 t -84.84 140.17 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 -175.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.15 -73.51 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.775 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -92.54 121.55 34.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.366 0.603 . . . . 0.0 112.28 -172.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -92.57 146.44 23.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.714 177.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.0 t -93.59 -68.46 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.945 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.1 176.48 9.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.745 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.9 m -142.5 143.68 32.65 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -137.43 137.86 39.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.536 -173.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -110.0 145.52 36.85 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.427 0.632 . . . . 0.0 111.262 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.561 ' HG3' HG13 ' A' ' 84' ' ' ILE . 35.3 ptt180 -155.69 175.35 14.03 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 176.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -120.02 150.95 39.73 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.461 -0.895 . . . . 0.0 111.891 177.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.587 ' HB ' HD13 ' A' ' 84' ' ' ILE . 2.6 p -122.05 96.19 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 171.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.9 p 46.52 71.02 0.33 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.955 -175.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.31 -23.03 6.54 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.761 -0.733 . . . . 0.0 114.466 175.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -95.51 137.25 34.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.516 0.658 . . . . 0.0 110.334 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 8' ' ' MET . 2.1 mp -94.54 116.68 36.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.944 0.402 . . . . 0.0 110.593 -174.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.646 HG21 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -92.24 135.81 26.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.262 0.553 . . . . 0.0 110.712 178.381 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -117.89 102.14 8.85 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.622 -176.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.582 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.5 mp -93.92 130.52 39.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.837 0.351 . . . . 0.0 111.153 -176.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -111.58 114.73 27.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.455 177.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -91.56 118.42 30.59 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.698 0.285 . . . . 0.0 110.536 178.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.533 ' CE2' ' HA ' ' A' ' 68' ' ' VAL . 4.2 t90 -113.73 132.83 55.67 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.722 -178.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.543 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 13.7 t-80 -87.63 125.78 34.57 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 176.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.749 HG22 HD12 ' A' ' 16' ' ' ILE . 24.1 t -87.28 107.87 16.79 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-O 120.825 0.345 . . . . 0.0 110.274 -174.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.543 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 91.0 Cg_endo -82.32 -21.02 5.65 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.693 2.262 . . . . 0.0 111.816 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -158.19 137.68 11.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.536 -176.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.542 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 28.9 p90 -149.99 140.08 22.07 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.826 177.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -113.33 138.5 49.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.535 -177.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.44 -161.65 13.26 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 -177.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.8 m -123.96 129.0 50.24 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 117.101 0.451 . . . . 0.0 109.912 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.509 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -78.89 122.43 26.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.571 0.7 . . . . 0.0 111.077 -175.192 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.668 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.6 pt20 -134.95 168.67 18.66 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.515 -1.221 . . . . 0.0 108.899 -177.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -107.93 123.56 48.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.896 0.379 . . . . 0.0 111.65 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.489 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 19.9 t-80 -95.55 -70.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.267 176.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.404 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 14.4 mm-40 -80.41 -34.54 36.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.452 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -81.44 166.47 20.34 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -83.0 -68.81 0.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.843 0.354 . . . . 0.0 111.546 -174.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -136.65 166.28 23.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.632 -176.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.411 HD11 HD21 ' A' ' 23' ' ' LEU . 1.5 mm? -116.13 140.12 49.62 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.8 p -130.62 139.18 51.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 173.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -101.14 114.43 28.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.157 175.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.479 ' SG ' HD11 ' A' ' 24' ' ' LEU . 25.2 p -135.6 152.45 51.26 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.119 177.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.529 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 15.1 m -71.88 161.88 76.35 Favored Pre-proline 0 C--N 1.319 -0.717 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.33 -176.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' A' ' 110' ' ' SER . 5.1 Cg_endo -47.35 -53.26 6.66 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.234 2.623 . . . . 0.0 113.852 -176.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.37 -24.22 63.85 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.288 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.457 ' O ' ' HD1' ' A' ' 117' ' ' TYR . 52.1 mm-40 -72.15 -42.92 65.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.739 174.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.05 81.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.18 -173.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.519 HD21 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -76.39 -7.98 56.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.991 0.424 . . . . 0.0 110.765 -176.873 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -93.47 -1.7 55.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.089 0.471 . . . . 0.0 110.194 173.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.457 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 34.2 m-85 -94.71 158.85 34.62 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.607 176.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.427 ' HB2' HD21 ' A' ' 36' ' ' LEU . 57.0 Cg_endo -71.65 76.01 1.99 Allowed 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.187 1.925 . . . . 0.0 112.125 178.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.464 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 70.5 mt -81.34 152.72 27.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.12 176.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.501 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -62.44 153.5 76.44 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.316 176.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -56.87 -19.16 30.51 Favored 'Trans proline' 0 CA--C 1.534 0.522 0 C-N-CA 123.004 2.469 . . . . 0.0 113.676 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.407 ' HB3' HD22 ' A' ' 86' ' ' LEU . . . -90.39 -23.91 20.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.714 0.293 . . . . 0.0 110.878 178.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.501 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.1 m-20 -81.59 -22.59 37.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.576 -175.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.453 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 48.2 mm -61.86 -59.58 12.81 Favored Pre-proline 0 CA--C 1.537 0.475 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.066 -177.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.453 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 19.7 Cg_endo -59.67 -25.69 79.81 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.455 2.103 . . . . 0.0 112.677 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 91.3 mt -76.15 -45.8 31.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.833 0.349 . . . . 0.0 110.297 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.527 HD11 ' O ' ' A' ' 127' ' ' LEU . 2.9 tm? -71.42 -35.62 71.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.776 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -49.99 -47.8 52.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 175.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.492 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -79.8 -15.21 57.88 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.728 -178.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -76.25 -47.85 22.36 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.6 ptm -67.78 -35.78 79.28 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.676 175.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -57.48 -43.88 84.44 Favored 'General case' 0 C--N 1.338 0.101 0 CA-C-O 120.93 0.395 . . . . 0.0 111.148 170.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 129' ' ' ALA . 1.1 tp -66.24 -32.48 73.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.211 -176.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -85.5 -18.61 32.98 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.644 -0.423 . . . . 0.0 111.643 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.16 -39.14 12.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.977 0.418 . . . . 0.0 110.706 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.097 177.946 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.414 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 62.4 mtt -109.06 139.52 43.84 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.731 0.777 . . . . 0.0 112.286 -172.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.563 ' HB ' HG22 ' A' ' 84' ' ' ILE . 24.1 mt -108.5 116.69 52.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 114.268 -1.333 . . . . 0.0 107.729 173.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -94.37 123.77 37.98 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 -171.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.626 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 97.1 t -132.08 123.64 51.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.206 0.527 . . . . 0.0 109.758 -178.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.47 ' HB ' HD23 ' A' ' 54' ' ' LEU . 3.9 m -99.11 133.95 39.89 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.953 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.404 ' O ' ' HA ' ' A' ' 88' ' ' ALA . . . -119.54 131.46 55.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.138 0.494 . . . . 0.0 110.816 -174.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.498 ' HA ' ' CD1' ' A' ' 89' ' ' TRP . . . -102.54 121.1 41.69 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.163 -176.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.42 HG21 ' CG2' ' A' ' 22' ' ' ILE . 5.4 mt -98.24 100.41 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.787 HG13 HD21 ' A' ' 23' ' ' LEU . 1.2 mm -83.47 101.99 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 -178.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.444 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . 4.5 tm-20 -112.84 121.02 43.45 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -176.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.675 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -147.51 137.12 22.72 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 175.69 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 65.04 19.78 11.91 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.395 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.45 9.33 79.33 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.864 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -121.15 145.27 47.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.916 0.388 . . . . 0.0 110.559 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.42 ' CG2' HG21 ' A' ' 15' ' ' ILE . 26.4 mt -105.25 149.64 8.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.26 -178.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.787 HD21 HG13 ' A' ' 16' ' ' ILE . 57.2 tp -88.31 118.06 27.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.072 0.463 . . . . 0.0 111.2 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 mp -112.7 139.02 48.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.686 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.42 ' HB3' ' CB ' ' A' ' 103' ' ' HIS . . . -119.98 120.03 35.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.96 0.41 . . . . 0.0 111.137 -178.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.825 -176.917 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.757 0 N-CA-C 112.296 -0.322 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.472 ' HA ' ' HG2' ' A' ' 118' ' ' PRO . 5.2 mp -76.55 148.21 37.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.975 0.417 . . . . 0.0 111.314 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.476 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 48.2 m95 -115.64 149.55 38.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.916 -177.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -142.67 165.23 27.97 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -79.36 147.37 32.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.91 0.386 . . . . 0.0 109.986 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.419 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -73.08 162.7 29.14 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.569 -178.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.12 -139.83 7.32 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.482 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.94 173.8 38.98 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.178 -1.011 . . . . 0.0 113.361 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.669 ' HZ3' ' HB3' ' A' ' 43' ' ' LYS . 3.7 ttpm? -81.14 149.54 29.09 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.383 -0.408 . . . . 0.0 110.001 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.9 t -100.41 119.93 49.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.565 -177.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -73.8 145.63 84.43 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.09 0.03 3.63 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.793 2.329 . . . . 0.0 113.483 -175.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -111.55 -1.07 15.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.259 0.552 . . . . 0.0 111.271 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -119.33 162.17 19.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.631 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 t -93.97 165.62 12.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.348 -178.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -61.52 -53.5 55.59 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.483 0.182 . . . . 0.0 111.036 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.413 ' O ' HG21 ' A' ' 55' ' ' VAL . 92.4 mtt180 -58.89 -38.69 79.42 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.391 0.615 . . . . 0.0 109.99 177.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -68.31 -42.76 78.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.463 -175.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.89 97.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.337 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.718 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 26.1 mt -60.37 -49.11 78.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 0.0 110.613 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.413 HG21 ' O ' ' A' ' 51' ' ' ARG . 61.0 t -60.54 -44.68 97.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.429 -176.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.597 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.7 ppt_? -75.14 -41.84 57.48 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.963 -177.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.69 -40.97 96.88 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 111.469 0.174 . . . . 0.0 111.469 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 52.9 mt -69.46 -31.08 69.16 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.525 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 59' ' ' ARG . 19.8 ttt85 -64.16 -35.23 80.09 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.7 174.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.597 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 35.8 mt-10 -81.23 -41.19 22.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -177.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.558 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 71.9 mm-40 -90.45 -46.73 8.16 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -177.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.636 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 58.9 mt -103.32 1.17 32.43 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -173.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 47.65 33.73 9.38 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 115.045 0.778 . . . . 0.0 115.045 -173.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.422 HG12 ' HB2' ' A' ' 62' ' ' LEU . 31.4 pt -123.72 146.37 29.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 118.304 1.052 . . . . 0.0 111.88 178.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.573 ' HB2' ' HB2' ' A' ' 95' ' ' HIS . 44.1 mt-10 -93.71 98.63 11.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.112 176.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.72 150.21 24.33 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.135 0.493 . . . . 0.0 111.936 -173.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.3 m -113.02 106.86 15.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.327 174.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.817 ' HA ' ' CZ3' ' A' ' 89' ' ' TRP . 23.2 t -86.86 130.85 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.048 -174.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . -177.48 62.65 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.021 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' A' ' 70' ' ' GLU . 9.8 pt-20 151.24 111.24 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.808 1.243 . . . . 0.0 109.65 -175.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.754 ' HB3' ' HE1' ' A' ' 87' ' ' HIS . 52.7 m-85 -99.4 149.17 23.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.752 -0.593 . . . . 0.0 110.964 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.9 t -96.09 -70.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.791 0.329 . . . . 0.0 111.443 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.47 178.09 10.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.027 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.0 m -135.61 149.99 49.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.872 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -145.26 146.9 31.87 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 177.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -117.91 143.6 46.19 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.444 0.64 . . . . 0.0 111.604 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.586 HH11 ' HB2' ' A' ' 122' ' ' ALA . 18.3 ptt180 -146.11 159.99 42.53 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 176.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -107.26 147.64 29.96 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 119.044 -1.063 . . . . 0.0 111.505 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.562 ' HB ' HD13 ' A' ' 84' ' ' ILE . 2.7 p -120.34 93.87 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 115.166 -0.924 . . . . 0.0 108.568 171.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.2 t 47.6 74.31 0.17 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.567 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.03 -8.68 29.34 Favored Glycine 0 CA--C 1.523 0.574 0 C-N-CA 120.984 -0.627 . . . . 0.0 114.657 175.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -110.51 140.27 44.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 117.564 0.682 . . . . 0.0 109.804 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 8' ' ' MET . 1.8 mp -99.11 116.39 42.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 120.912 0.387 . . . . 0.0 110.229 -175.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.563 HG22 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -87.12 129.56 38.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.157 0.503 . . . . 0.0 109.903 175.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -108.62 101.86 10.97 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.242 -175.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.626 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 8.3 mp -94.78 123.71 38.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.699 0.285 . . . . 0.0 110.691 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.754 ' HE1' ' HB3' ' A' ' 71' ' ' TYR . 10.0 t-80 -115.24 113.18 23.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.091 178.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 13' ' ' ALA . . . -89.92 144.71 25.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.931 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.817 ' CZ3' ' HA ' ' A' ' 68' ' ' VAL . 9.7 p-90 -139.31 150.8 45.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.716 176.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.5 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 44.1 t-80 -90.07 133.25 34.96 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 176.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.76 HG21 HD11 ' A' ' 16' ' ' ILE . 31.5 t -89.38 107.31 17.51 Favored Pre-proline 0 C--N 1.32 -0.711 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -177.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.5 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 73.9 Cg_endo -78.73 -28.65 4.03 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.512 2.141 . . . . 0.0 111.811 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -153.18 138.55 17.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.771 -177.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -148.7 136.43 20.62 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.776 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.573 ' HB2' ' HB2' ' A' ' 65' ' ' GLU . 23.9 m170 -106.93 140.32 39.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.52 -178.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.56 -160.53 14.4 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.135 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 56.1 m -125.73 134.04 51.9 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.469 ' H ' HD12 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -73.93 123.54 24.46 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.472 0.653 . . . . 0.0 111.189 -175.328 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.636 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 26.2 pt20 -127.4 168.36 14.96 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.563 178.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.469 ' HB2' HD11 ' A' ' 106' ' ' LEU . . . -111.15 122.37 47.7 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.802 0.334 . . . . 0.0 111.523 178.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.442 ' CB ' ' HA ' ' A' ' 61' ' ' GLU . 21.8 t-80 -94.47 -74.41 0.54 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.353 0.597 . . . . 0.0 110.175 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.558 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -76.49 -46.5 26.42 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.642 178.233 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.42 ' CB ' ' HB3' ' A' ' 25' ' ' ALA . 66.0 m80 -71.68 151.42 43.66 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.444 -1.253 . . . . 0.0 109.256 -177.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -91.86 -66.74 0.9 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.906 0.384 . . . . 0.0 111.197 -174.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -98.71 153.4 18.75 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.068 -176.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.639 ' HG ' HD11 ' A' ' 23' ' ' LEU . 1.1 mp -130.82 123.59 29.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.7 p -129.69 144.71 37.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.681 0.277 . . . . 0.0 110.883 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 16.9 m-90 -106.78 116.99 32.88 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 173.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 25.5 p -139.32 155.37 47.75 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.295 177.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.3 m -66.89 158.22 81.3 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.231 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.525 ' O ' HD13 ' A' ' 127' ' ' LEU . 50.5 Cg_exo -46.24 -54.19 5.0 Favored 'Trans proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.177 2.584 . . . . 0.0 113.318 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.459 ' CD ' ' H ' ' A' ' 112' ' ' GLU . 1.5 pm0 -70.44 -28.49 65.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.724 0.297 . . . . 0.0 110.83 -177.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -66.8 -42.11 86.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.37 175.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 117' ' ' TYR . . . -60.03 -35.43 75.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.026 -177.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.673 HD11 HG21 ' A' ' 124' ' ' ILE . 0.2 OUTLIER -76.58 -9.22 58.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.895 0.379 . . . . 0.0 110.897 -178.15 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -88.36 -5.22 58.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.01 0.434 . . . . 0.0 110.292 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 114' ' ' ALA . 30.4 m-85 -89.83 159.49 43.08 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.66 176.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.472 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 55.6 Cg_endo -73.77 79.09 2.33 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 121.945 1.763 . . . . 0.0 111.658 175.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 75.7 mt -85.28 153.36 22.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.225 178.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.52 ' HB1' ' OD1' ' A' ' 123' ' ' ASP . . . -61.95 155.0 65.62 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.757 177.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 120' ' ' ALA . 11.6 Cg_endo -55.96 -22.68 39.56 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.373 2.715 . . . . 0.0 114.386 -174.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.586 ' HB2' HH11 ' A' ' 77' ' ' ARG . . . -98.09 -17.57 19.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.829 0.347 . . . . 0.0 110.671 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.52 ' OD1' ' HB1' ' A' ' 120' ' ' ALA . 1.1 m-20 -81.01 -26.48 36.41 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.386 -176.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.673 HG21 HD11 ' A' ' 115' ' ' LEU . 81.1 mt -63.0 -59.72 11.7 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.461 178.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.524 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 10.1 Cg_endo -53.67 -32.25 64.13 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 123.033 2.489 . . . . 0.0 113.042 177.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 84.0 mt -68.6 -41.95 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.028 0.442 . . . . 0.0 110.228 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 111' ' ' PRO . 3.2 tm? -73.49 -36.23 65.75 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.734 -179.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.588 ' HA ' ' HE3' ' A' ' 131' ' ' MET . 33.5 mt-10 -54.2 -42.24 69.53 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.741 0.305 . . . . 0.0 110.621 177.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.414 ' HA ' ' HB1' ' A' ' 132' ' ' ALA . . . -81.69 -21.0 38.32 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.779 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -71.59 -45.52 61.93 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.588 ' HE3' ' HA ' ' A' ' 128' ' ' GLU . 26.9 ptt? -69.34 -31.66 70.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.726 175.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.414 ' HB1' ' HA ' ' A' ' 129' ' ' ALA . . . -63.35 -42.24 98.89 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-O 120.931 0.396 . . . . 0.0 111.15 172.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.49 -34.26 75.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 -176.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -81.48 -16.82 50.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.101 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -88.1 -35.21 17.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.01 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.427 179.757 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.406 ' HA3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.784 0 N-CA-C 112.105 -0.398 . . . . 0.0 112.105 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.406 ' HD3' ' HA3' ' A' ' 1' ' ' GLY . 2.7 Cg_endo -81.55 108.46 1.93 Allowed 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 123.066 2.511 . . . . 0.0 112.557 178.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 mp -102.14 -65.78 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 175.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.3 -1.45 81.13 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.314 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 m -76.89 -11.08 59.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.324 0.583 . . . . 0.0 109.973 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 61.8 mtt -117.21 148.73 41.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.234 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -119.31 141.22 49.19 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.414 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 62.6 mtm -96.63 141.5 29.81 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 121.638 0.732 . . . . 0.0 111.236 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.571 HD12 HG12 ' A' ' 79' ' ' VAL . 26.7 mt -105.46 109.86 29.18 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 114.449 -1.251 . . . . 0.0 107.947 174.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.46 ' OE1' ' HE1' ' A' ' 87' ' ' HIS . 55.2 mm-40 -90.4 127.61 36.25 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 -172.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.615 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 61.7 t -133.37 130.26 57.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 m -107.76 134.74 48.63 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-O 120.892 0.377 . . . . 0.0 110.197 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.25 132.82 56.54 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.51 ' HB1' HD22 ' A' ' 54' ' ' LEU . . . -102.58 121.16 41.82 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.137 0.494 . . . . 0.0 110.441 -175.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.432 HG12 ' HD2' ' A' ' 39' ' ' PHE . 5.1 mt -95.1 100.13 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.005 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 175.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.465 HG12 HG21 ' A' ' 91' ' ' VAL . 37.3 mt -93.54 101.6 12.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -176.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.542 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 34.6 tt0 -105.41 108.09 19.42 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.079 -172.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 18' ' ' ARG . 13.1 tpt85 -126.47 131.15 51.72 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 72.6 2.33 4.31 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.815 0.697 . . . . 0.0 111.394 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.26 -0.48 37.8 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.388 -0.91 . . . . 0.0 111.208 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 22.2 mttp -114.96 155.56 26.68 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 120.681 0.277 . . . . 0.0 110.499 -176.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.415 ' CG2' HG21 ' A' ' 15' ' ' ILE . 15.6 mt -104.7 148.01 9.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.039 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.458 HD23 HD11 ' A' ' 16' ' ' ILE . 36.5 tp -87.19 121.49 29.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.101 0.477 . . . . 0.0 111.009 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.454 HD12 ' SG ' ' A' ' 109' ' ' CYS . 7.4 mp -115.62 136.26 53.24 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.14 177.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.11 123.14 43.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.056 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.462 ' HA ' ' HA ' ' A' ' 37' ' ' TRP . 25.0 tt0 -70.26 119.28 14.21 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.783 -178.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.525 ' NH1' ' HB3' ' A' ' 102' ' ' GLU . 15.7 tpt180 -170.89 118.79 0.48 Allowed Pre-proline 0 N--CA 1.463 0.207 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.619 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -97.22 -153.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 122.675 2.25 . . . . 0.0 111.421 170.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -116.87 -83.95 0.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.858 0.361 . . . . 0.0 110.801 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -113.13 11.37 18.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.153 0.501 . . . . 0.0 109.955 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 m -73.5 129.98 39.13 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.192 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -80.58 -2.39 46.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.53 0.681 . . . . 0.0 110.061 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -105.44 166.69 10.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.84 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.83 -176.68 3.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.311 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.48 -29.67 7.43 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.454 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.41 HD21 ' HB2' ' A' ' 118' ' ' PRO . 1.7 mp -77.0 120.81 22.63 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.186 0.517 . . . . 0.0 111.794 175.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.462 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 16.8 m0 -97.88 155.93 16.83 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.482 177.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -131.3 164.77 24.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.772 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.432 ' HD2' HG12 ' A' ' 15' ' ' ILE . 4.5 m-85 -88.67 117.81 27.89 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.81 150.23 16.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.804 -174.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.3 -133.64 2.98 Favored Glycine 0 N--CA 1.443 -0.879 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -176.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.53 173.53 33.27 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.038 -1.077 . . . . 0.0 113.387 178.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -77.86 145.61 36.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.828 0.347 . . . . 0.0 110.46 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.3 t -100.53 121.24 51.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.061 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -80.05 139.43 53.15 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 171.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.5 -29.85 71.15 Favored 'Trans proline' 0 CA--C 1.529 0.255 0 C-N-CA 122.691 2.261 . . . . 0.0 112.706 -175.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -84.48 -3.11 58.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.798 -177.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -116.54 161.84 18.51 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' A' ' 52' ' ' GLN . 33.5 t -86.59 154.93 20.68 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 -177.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -62.79 -42.51 99.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.51 0.195 . . . . 0.0 110.999 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.451 ' O ' HG21 ' A' ' 55' ' ' VAL . 77.9 mtt180 -67.76 -39.45 84.14 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 175.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.418 ' HB3' ' HB3' ' A' ' 49' ' ' SER . 31.4 tt0 -66.43 -38.29 87.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.995 -175.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.97 79.39 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.28 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.693 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 24.7 mt -59.42 -46.99 87.16 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.904 0.383 . . . . 0.0 110.697 178.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 51' ' ' ARG . 70.7 t -58.44 -46.83 89.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.017 -177.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.581 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.5 ppt_? -76.74 -40.85 47.1 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.236 -177.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.82 -44.25 94.11 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.556 0.217 . . . . 0.0 111.178 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 44.4 mt -69.14 -31.86 70.83 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 120.538 -0.465 . . . . 0.0 109.884 178.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -64.98 -36.18 83.56 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.778 0.323 . . . . 0.0 110.987 175.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.581 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 28.4 mt-10 -83.47 -41.31 18.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.203 -178.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.629 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 69.3 mm-40 -88.93 -45.91 9.31 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.697 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 65.3 mt -102.34 4.67 39.27 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.781 -172.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.57 27.98 20.22 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 114.81 0.684 . . . . 0.0 114.81 -176.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.4 pt -127.09 142.85 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 118.204 1.002 . . . . 0.0 112.054 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.535 ' HB2' ' HB2' ' A' ' 95' ' ' HIS . 41.3 mt-10 -91.92 97.84 11.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.796 175.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.99 153.31 22.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.278 0.561 . . . . 0.0 111.956 -173.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.581 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 44.7 m -110.98 107.4 16.81 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.254 176.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.3 t -80.48 136.07 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.319 -177.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -141.52 -85.23 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.055 -1.069 . . . . 0.0 113.431 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.561 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 10.2 pt-20 -85.05 126.63 33.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.374 0.607 . . . . 0.0 111.302 -172.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -79.64 132.75 36.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.249 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.544 ' HB ' ' O ' ' A' ' 88' ' ' ALA . 90.2 t -92.1 -68.6 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.72 0.295 . . . . 0.0 111.153 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -161.31 163.66 30.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 111.529 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.4 p -123.83 149.09 46.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.043 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -137.75 139.55 40.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.355 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -115.95 137.83 51.75 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.113 0.483 . . . . 0.0 111.217 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.693 ' HG3' HG13 ' A' ' 84' ' ' ILE . 31.9 ptt180 -147.71 173.42 12.79 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -120.4 149.84 41.72 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 119.724 -0.79 . . . . 0.0 111.254 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.571 HG12 HD12 ' A' ' 9' ' ' ILE . 2.5 p -125.63 96.32 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 173.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.6 p 41.74 70.39 0.28 Allowed 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.119 -173.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.79 -22.86 10.08 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 120.756 -0.735 . . . . 0.0 114.517 176.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.503 ' HB2' HG13 ' A' ' 79' ' ' VAL . 99.1 mtt180 -96.65 136.85 36.61 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 117.735 0.767 . . . . 0.0 110.493 -177.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 8' ' ' MET . 2.0 mp -93.63 114.96 31.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 120.861 0.362 . . . . 0.0 110.789 -175.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.693 HG13 ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -87.53 132.62 32.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.32 0.581 . . . . 0.0 110.025 176.592 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -117.43 97.83 6.09 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.689 -173.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.615 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.7 mp -95.13 135.98 36.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.843 0.354 . . . . 0.0 111.436 -175.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.46 ' HE1' ' OE1' ' A' ' 10' ' ' GLU . 71.9 m80 -118.72 114.38 22.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.073 176.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.544 ' O ' ' HB ' ' A' ' 72' ' ' VAL . . . -93.12 107.46 19.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 51.2 m0 -115.18 143.71 44.8 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.149 0.499 . . . . 0.0 110.718 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.561 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 46.9 t-80 -92.49 115.84 28.45 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.294 -176.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.465 HG21 HG12 ' A' ' 16' ' ' ILE . 11.8 m -91.71 105.48 13.46 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.75 175.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.581 ' HD2' ' O ' ' A' ' 67' ' ' THR . 73.5 Cg_endo -78.17 -2.28 12.38 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.613 2.209 . . . . 0.0 112.649 -176.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.524 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 26.9 t70 -154.5 143.55 21.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.754 -177.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -146.45 136.2 23.23 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.992 175.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.535 ' HB2' ' HB2' ' A' ' 65' ' ' GLU . 30.0 m170 -100.55 120.81 40.58 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.147 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 123.15 -160.86 17.61 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.871 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 55.7 m -130.09 135.14 47.9 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.479 ' H ' HD12 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -72.52 125.18 26.81 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.489 0.662 . . . . 0.0 111.289 -170.682 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.697 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.8 pt20 -130.55 157.46 42.64 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.068 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.479 ' HB2' HD11 ' A' ' 106' ' ' LEU . . . -109.42 106.39 16.14 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.563 -178.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -80.14 -74.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.068 0.461 . . . . 0.0 110.751 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.629 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 13.8 mt-10 -91.48 25.74 2.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.176 0.513 . . . . 0.0 110.98 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.423 ' HB2' ' HB3' ' A' ' 100' ' ' ALA . 77.4 m80 -133.5 147.8 51.66 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -178.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -82.89 -61.86 1.75 Allowed 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 121.162 -0.215 . . . . 0.0 111.543 -174.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.3 154.16 33.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.847 -177.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 100' ' ' ALA . 1.3 tp -127.84 126.21 41.19 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.8 p -136.53 144.63 32.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.15 0.5 . . . . 0.0 111.883 -175.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -104.58 118.02 35.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.036 173.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.454 ' SG ' HD12 ' A' ' 24' ' ' LEU . 25.9 p -137.3 155.72 49.11 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.287 176.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.447 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 20.1 m -69.32 156.58 91.34 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.124 -177.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.547 ' O ' HD11 ' A' ' 127' ' ' LEU . 8.1 Cg_endo -51.21 -49.49 16.94 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.86 2.373 . . . . 0.0 112.771 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -63.42 -36.38 83.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.866 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.447 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 7.7 mm-40 -68.56 -41.14 80.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.408 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.72 -41.35 90.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.207 -174.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -73.13 -7.65 52.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.844 0.354 . . . . 0.0 111.391 -174.865 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -90.73 -0.29 57.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.066 0.46 . . . . 0.0 110.524 176.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.472 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 45.2 m-85 -106.25 164.33 15.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.952 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 117' ' ' TYR . 49.3 Cg_endo -71.81 72.77 2.51 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.532 2.154 . . . . 0.0 112.345 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.4 HD23 HD22 ' A' ' 24' ' ' LEU . 67.9 mt -81.25 153.56 27.06 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.003 175.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.531 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -59.99 149.2 74.84 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.517 0.198 . . . . 0.0 110.522 176.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.98 -20.86 31.55 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.326 2.684 . . . . 0.0 113.932 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -89.98 -25.37 20.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 0.0 111.131 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.531 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.3 m-20 -79.32 -23.91 43.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.507 -175.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.501 HG21 HD11 ' A' ' 115' ' ' LEU . 74.4 mt -61.84 -58.73 16.23 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.161 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.444 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 17.7 Cg_endo -58.53 -26.87 80.33 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 122.547 2.165 . . . . 0.0 112.685 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.408 HD12 ' HB1' ' A' ' 88' ' ' ALA . 86.7 mt -75.7 -44.85 40.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.212 -178.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.547 HD11 ' O ' ' A' ' 111' ' ' PRO . 3.3 tm? -70.15 -37.6 75.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.909 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -48.99 -46.27 43.55 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 176.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.42 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . . . -80.88 -18.28 47.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.737 -177.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.409 ' HB2' HG12 ' A' ' 72' ' ' VAL . 92.8 t80 -73.38 -47.76 39.48 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -68.46 -32.53 72.61 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.528 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.42 ' HB2' ' HA ' ' A' ' 129' ' ' ALA . . . -57.49 -41.33 80.5 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.978 0.418 . . . . 0.0 110.839 171.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.9 mp -64.98 -36.56 84.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.035 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -80.3 -27.85 38.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -92.86 -40.18 10.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.817 0.342 . . . . 0.0 111.652 -174.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -87.56 -36.06 17.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.866 0.365 . . . . 0.0 110.113 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.558 ' HA ' ' HE ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER 63.74 104.16 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.216 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.231 179.683 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -67.69 -7.14 18.53 Favored 'Trans proline' 0 N--CA 1.473 0.273 0 C-N-CA 123.173 2.582 . . . . 0.0 112.65 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -97.53 73.83 2.41 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.22 177.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 29.4 t70 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.616 -0.707 . . . . 0.0 109.944 -179.879 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.6 0 N-CA-C 112.097 -0.401 . . . . 0.0 112.097 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.31 -34.25 45.28 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.855 2.37 . . . . 0.0 111.571 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.699 HD21 ' H ' ' A' ' 3' ' ' LEU . 2.4 pt? -105.45 162.2 13.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.429 175.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.39 71.98 2.83 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.822 -0.704 . . . . 0.0 113.07 -175.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 t -80.07 113.98 18.64 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 173.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.518 ' HB2' HD13 ' A' ' 83' ' ' ILE . 22.2 ptp -78.05 126.63 31.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.545 0.688 . . . . 0.0 111.53 -171.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -101.34 140.83 35.1 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.344 -0.844 . . . . 0.0 108.95 173.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.405 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 84.5 mtp -101.79 136.53 41.47 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.698 0.761 . . . . 0.0 111.537 -177.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.521 ' HB ' HG22 ' A' ' 84' ' ' ILE . 53.8 mt -113.13 117.38 55.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 114.447 -1.251 . . . . 0.0 109.385 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -98.05 124.12 42.4 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -178.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.599 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 93.2 t -126.48 128.92 71.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 m -106.77 135.51 44.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-O 121.052 0.453 . . . . 0.0 110.563 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.54 129.7 56.33 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.058 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.484 ' HB1' HD22 ' A' ' 54' ' ' LEU . . . -102.14 111.8 24.22 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.063 0.459 . . . . 0.0 110.039 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.417 HG21 ' CG2' ' A' ' 22' ' ' ILE . 7.2 mt -94.88 100.09 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 177.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.444 HD11 HD23 ' A' ' 23' ' ' LEU . 35.1 mt -91.83 106.31 17.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.409 -179.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.572 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . 17.2 tt0 -112.25 124.27 52.09 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.125 -176.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.786 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -139.82 130.05 25.22 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.25 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 68.09 17.12 9.49 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.704 0.627 . . . . 0.0 111.332 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.64 10.03 63.81 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.413 -0.899 . . . . 0.0 111.758 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 15.8 mmtp -120.32 142.14 49.39 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -178.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.42 HD13 HG23 ' A' ' 22' ' ' ILE . 48.5 mt -103.7 140.13 22.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.0 -178.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.459 HD11 ' HB3' ' A' ' 106' ' ' LEU . 49.6 tp -77.28 116.52 17.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.176 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.546 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 54.6 mt -114.74 131.63 56.71 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.94 175.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.442 ' HB2' ' CB ' ' A' ' 103' ' ' HIS . . . -117.42 125.3 50.72 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.618 -177.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.636 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 8.3 tt0 -73.57 112.12 9.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.29 -178.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.726 ' HB3' ' HD2' ' A' ' 103' ' ' HIS . 2.3 tmm_? 160.54 100.46 0.0 OUTLIER Pre-proline 0 N--CA 1.471 0.586 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.407 ' HB2' ' H ' ' A' ' 29' ' ' ALA . 42.5 Cg_endo -85.12 -154.72 0.05 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.111 1.874 . . . . 0.0 111.29 178.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' H ' ' HB2' ' A' ' 28' ' ' PRO . . . -145.06 -61.64 0.35 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.489 -0.485 . . . . 0.0 111.896 -176.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -92.23 18.08 8.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.352 0.596 . . . . 0.0 110.702 -176.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 t -145.06 123.91 12.67 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.193 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -93.23 73.25 4.6 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 176.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -138.22 130.51 28.88 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.179 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.66 144.47 26.64 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.562 -177.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.33 -24.25 11.63 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.912 -0.661 . . . . 0.0 113.203 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.541 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 5.9 mp -76.03 147.35 38.8 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.148 0.499 . . . . 0.0 111.984 -177.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.546 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 19.2 m95 -120.42 156.83 30.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.291 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -147.69 170.89 16.57 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -81.08 145.7 30.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 174.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.92 160.13 31.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.713 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.76 -135.96 7.88 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.09 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.94 -171.68 35.01 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.839 -178.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 44' ' ' VAL . 53.0 tttm -78.36 155.35 30.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.401 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 59.4 t -106.37 129.35 59.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.424 178.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.493 ' C ' ' H ' ' A' ' 47' ' ' ASP . 36.3 mm-40 -91.49 152.57 43.71 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 174.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -68.26 12.29 0.24 Allowed 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 122.564 2.176 . . . . 0.0 112.39 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.493 ' H ' ' C ' ' A' ' 45' ' ' GLU . 32.3 t70 -105.15 -10.45 17.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.413 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -135.34 169.32 17.66 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.135 -173.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.5 m -91.78 160.0 15.54 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.166 176.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -70.69 -42.67 70.39 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -173.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -69.64 -31.74 70.0 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -65.06 -40.51 94.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.802 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.95 97.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.886 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.641 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 42.9 mt -62.97 -47.8 81.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.827 0.346 . . . . 0.0 110.8 178.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.96 -45.41 95.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.268 -177.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.58 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.3 ppt_? -69.41 -41.77 75.96 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.434 -0.507 . . . . 0.0 111.03 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.42 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 5.0 mm-40 -61.28 -52.13 66.0 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 178.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 28.0 mt -62.33 -35.49 79.25 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.521 -177.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -59.63 -34.16 72.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.96 0.409 . . . . 0.0 110.914 174.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.58 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 21.0 mt-10 -87.26 -40.49 14.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.605 -177.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.602 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 4.8 pt-20 -92.77 -42.65 9.45 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -177.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.661 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 60.4 mt -101.55 2.86 39.51 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.459 -173.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.37 26.53 30.17 Favored Glycine 0 CA--C 1.522 0.484 0 C-N-CA 121.166 -0.54 . . . . 0.0 114.054 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.3 pt -125.32 142.18 42.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.652 0.739 . . . . 0.0 112.022 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -93.45 93.3 8.06 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.633 -1.167 . . . . 0.0 108.66 176.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 94' ' ' PHE . . . -85.61 157.45 20.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.891 -172.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.537 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 28.3 m -117.78 104.88 11.4 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.387 175.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.4 t -80.83 121.33 34.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.171 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.503 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . -169.11 68.4 0.16 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 119.864 -1.16 . . . . 0.0 113.834 -174.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.543 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 14.0 pt-20 159.52 142.92 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.224 1.01 . . . . 0.0 109.406 175.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.423 ' HD1' ' NE1' ' A' ' 89' ' ' TRP . 8.5 t80 -104.83 126.51 51.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.571 -170.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.472 ' HA ' ' CD2' ' A' ' 133' ' ' LEU . 89.6 t -96.02 -70.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.952 175.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -162.1 177.16 9.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.036 0.446 . . . . 0.0 111.64 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.1 p -143.86 147.57 34.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.104 175.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -132.53 135.07 45.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.268 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -105.2 139.23 40.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.066 0.46 . . . . 0.0 110.228 173.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.484 ' HG3' HG13 ' A' ' 84' ' ' ILE . 21.6 ptt85 -152.82 174.9 13.49 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 174.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -120.66 150.52 40.8 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 119.773 -0.771 . . . . 0.0 111.075 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.591 ' HB ' HD12 ' A' ' 84' ' ' ILE . 2.3 p -116.94 93.28 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 171.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.4 m 41.77 71.69 0.2 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.196 -177.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.29 -24.02 18.62 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 114.755 0.662 . . . . 0.0 114.755 176.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.554 ' HB2' HG13 ' A' ' 79' ' ' VAL . 52.8 mtt180 -97.57 138.42 35.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.013 0.906 . . . . 0.0 110.262 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.518 HD13 ' HB2' ' A' ' 6' ' ' MET . 1.9 mp -94.78 116.78 36.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.008 0.432 . . . . 0.0 111.044 -176.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.591 HD12 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -93.14 137.2 23.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.969 178.556 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -123.04 98.02 5.7 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.143 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.599 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 5.5 mp -90.94 135.74 33.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.869 0.366 . . . . 0.0 111.53 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -114.14 119.34 36.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.103 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -99.22 108.92 21.62 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.002 0.43 . . . . 0.0 110.614 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.536 ' HD1' ' O ' ' A' ' 70' ' ' GLU . 2.0 m-90 -106.25 149.87 26.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.383 176.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.572 ' NE2' ' HB3' ' A' ' 17' ' ' GLU . 50.5 t-80 -95.52 130.12 42.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.3 t -90.7 104.15 8.55 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.566 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 84.4 Cg_endo -80.74 -24.49 4.97 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.829 2.353 . . . . 0.0 112.58 -178.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -148.35 138.9 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.599 -175.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.468 ' HE1' ' HD2' ' A' ' 18' ' ' ARG . 45.3 p90 -146.99 136.92 23.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.194 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -107.4 120.5 42.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.923 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 128.97 -161.66 22.52 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.881 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.6 m -119.47 120.34 36.53 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.542 HD11 ' HE1' ' A' ' 108' ' ' TRP . 0.7 OUTLIER -72.68 116.58 13.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.716 -175.17 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.661 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 8.9 pt20 -133.11 171.0 14.58 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.541 -1.208 . . . . 0.0 109.474 -174.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 103' ' ' HIS . . . -109.81 115.38 29.73 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.905 0.384 . . . . 0.0 110.821 178.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.602 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 16.4 t-80 -105.9 -55.73 2.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.44 178.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -91.51 -38.73 12.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.235 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.726 ' HD2' ' HB3' ' A' ' 27' ' ' ARG . 46.7 m80 -79.87 160.65 25.97 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -83.17 -52.02 6.98 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -173.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -147.2 165.78 29.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.86 -0.154 . . . . 0.0 110.614 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.459 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.8 mm? -117.47 140.97 48.91 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 123.186 0.304 . . . . 0.0 110.182 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.9 p -128.96 134.24 64.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 169.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.542 ' HE1' HD11 ' A' ' 98' ' ' LEU . 25.1 m-90 -100.5 113.42 26.2 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 176.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 12.4 p -136.4 152.66 50.86 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.486 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.421 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 3.1 m -65.7 160.95 57.29 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.039 -178.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.548 ' O ' HD11 ' A' ' 127' ' ' LEU . 5.6 Cg_endo -49.53 -48.2 19.86 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.786 2.324 . . . . 0.0 112.76 179.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.64 -32.52 74.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.763 0.316 . . . . 0.0 111.101 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.447 ' O ' ' HD1' ' A' ' 117' ' ' TYR . 24.1 mm-40 -71.81 -38.25 70.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.836 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.56 -39.72 81.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.787 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.5 HD21 HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -74.63 -14.3 60.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.772 0.32 . . . . 0.0 110.547 -177.632 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -80.09 -13.92 58.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.066 0.46 . . . . 0.0 110.512 175.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.447 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 35.6 m-85 -89.89 159.59 42.67 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.398 -178.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.541 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 41.5 Cg_endo -70.22 82.43 0.85 Allowed 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.279 1.986 . . . . 0.0 111.626 176.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 71.0 mt -91.19 153.01 20.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.191 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.525 ' HB2' ' OD1' ' A' ' 123' ' ' ASP . . . -66.25 156.17 85.75 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.506 177.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 120' ' ' ALA . 11.3 Cg_endo -55.23 -23.57 37.63 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.191 2.594 . . . . 0.0 113.502 -177.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -87.34 -28.1 22.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.612 0.244 . . . . 0.0 111.115 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.525 ' OD1' ' HB2' ' A' ' 120' ' ' ALA . 1.8 m-20 -78.4 -24.0 46.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.146 0.498 . . . . 0.0 110.501 -175.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.48 ' HB ' ' HD3' ' A' ' 125' ' ' PRO . 79.5 mt -61.3 -60.34 10.82 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.129 -177.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.48 ' HD3' ' HB ' ' A' ' 124' ' ' ILE . 28.4 Cg_endo -63.39 -24.44 71.28 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.536 2.157 . . . . 0.0 112.666 -178.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 93.1 mt -73.65 -43.51 59.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.548 HD11 ' O ' ' A' ' 111' ' ' PRO . 2.8 tm? -72.28 -37.32 69.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.132 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -51.64 -44.65 63.04 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.818 0.342 . . . . 0.0 110.817 175.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.502 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -80.38 -15.36 57.02 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.542 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.436 ' HB3' HD23 ' A' ' 127' ' ' LEU . 66.2 t80 -76.26 -47.19 24.72 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 177.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 16.1 ptp -65.52 -35.89 82.22 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.138 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.502 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -59.37 -39.82 84.5 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.984 0.421 . . . . 0.0 110.719 171.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.472 ' CD2' ' HA ' ' A' ' 72' ' ' VAL . 0.9 OUTLIER -67.78 -30.09 69.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.972 -178.196 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.479 ' HD3' ' HG3' ' A' ' 111' ' ' PRO . 51.6 mtp85 -86.13 -24.12 26.35 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 177.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -88.63 -39.56 13.97 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.783 -176.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -91.34 -37.94 12.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.964 178.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 133' ' ' LEU . 0.1 OUTLIER 60.07 91.37 0.08 OUTLIER Pre-proline 0 N--CA 1.466 0.371 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.192 177.766 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -62.24 142.19 90.64 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.464 2.109 . . . . 0.0 111.549 173.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.47 -61.8 1.67 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.877 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.499 -0.762 . . . . 0.0 110.067 -178.47 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 112.038 -0.425 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.2 113.41 3.69 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.445 2.097 . . . . 0.0 112.285 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.63 -21.35 65.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.163 177.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.82 78.42 0.42 Allowed Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 176.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 m -92.18 115.69 28.3 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.108 0.48 . . . . 0.0 109.926 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.502 ' HB2' HD11 ' A' ' 83' ' ' ILE . 21.5 ptp -84.57 143.65 29.16 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.375 -174.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -90.96 137.5 32.32 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 173.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 54.5 mtp -104.9 134.13 48.53 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.733 0.778 . . . . 0.0 112.063 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.59 ' HB ' HG23 ' A' ' 84' ' ' ILE . 36.5 mt -115.21 114.7 47.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.163 176.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -94.46 127.13 40.17 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 90.1 t -132.4 130.08 59.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 m -106.14 135.9 42.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-O 121.047 0.451 . . . . 0.0 110.27 176.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.7 132.8 56.43 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.495 ' HB3' HD22 ' A' ' 54' ' ' LEU . . . -102.1 123.92 46.8 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.13 0.49 . . . . 0.0 110.275 -176.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.434 HG22 HG21 ' A' ' 22' ' ' ILE . 3.8 mt -94.68 99.81 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 176.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.535 HG12 HG21 ' A' ' 91' ' ' VAL . 34.9 mt -94.64 109.77 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.238 -174.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 65.8 tt0 -106.65 134.45 49.78 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.559 -174.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -143.23 120.58 11.6 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 65.99 10.98 7.41 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.437 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.74 2.41 43.05 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.174 -1.012 . . . . 0.0 112.261 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 10.0 mttp -114.81 151.64 33.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.434 HG21 HG22 ' A' ' 15' ' ' ILE . 7.1 mt -104.33 147.88 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -178.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.528 HD12 ' HB3' ' A' ' 106' ' ' LEU . 52.5 tp -85.92 117.5 24.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.194 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.723 HD11 ' HG ' ' A' ' 109' ' ' CYS . 7.8 mp -109.86 139.16 45.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.088 177.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.94 121.69 39.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.855 0.36 . . . . 0.0 111.5 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -69.58 110.01 4.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.964 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.547 ' HB3' ' CD2' ' A' ' 103' ' ' HIS . 20.9 ttt180 156.47 131.51 0.0 OUTLIER Pre-proline 0 N--CA 1.471 0.59 0 C-N-CA 124.96 1.304 . . . . 0.0 108.596 175.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.411 ' HB2' ' H ' ' A' ' 29' ' ' ALA . 48.3 Cg_endo -89.26 -147.24 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 122.449 2.099 . . . . 0.0 110.841 174.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.411 ' H ' ' HB2' ' A' ' 28' ' ' PRO . . . -98.88 -73.92 0.61 Allowed 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.205 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -115.16 -5.48 12.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.326 . . . . 0.0 111.335 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 m -68.72 139.83 55.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.735 -178.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -86.46 -18.6 31.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.88 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -65.43 97.56 0.3 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.589 0.709 . . . . 0.0 110.878 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.22 156.74 24.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.314 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.61 -19.85 16.0 Favored Glycine 0 CA--C 1.502 -0.728 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.547 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.488 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 6.4 mp -76.82 149.63 36.19 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.954 0.407 . . . . 0.0 110.783 177.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.566 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 56.2 m95 -117.7 154.68 31.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.14 -178.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -154.64 162.66 41.03 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 174.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.425 ' HD2' HG12 ' A' ' 15' ' ' ILE . 9.6 m-30 -80.6 139.06 36.46 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.88 161.61 29.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.945 0.403 . . . . 0.0 111.352 -175.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.02 -133.8 3.1 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.43 176.51 37.02 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.232 -0.985 . . . . 0.0 113.107 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -78.62 148.67 33.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.1 t -100.62 111.42 30.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.869 -178.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -74.12 143.62 80.72 Favored Pre-proline 0 C--N 1.317 -0.838 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.63 -9.1 17.09 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.595 2.197 . . . . 0.0 112.846 -176.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -98.15 -3.07 38.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.113 0.482 . . . . 0.0 110.141 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.493 ' HB2' HE21 ' A' ' 52' ' ' GLN . 20.7 pt-20 -127.07 159.26 34.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.527 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 p -96.66 168.09 10.73 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.363 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -60.4 -53.57 56.05 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -172.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.429 ' O ' HG23 ' A' ' 55' ' ' VAL . 81.5 mtt180 -63.22 -34.43 77.63 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.491 0.662 . . . . 0.0 109.607 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.493 HE21 ' HB2' ' A' ' 48' ' ' GLU . 30.1 tt0 -68.73 -42.3 77.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.277 -176.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.5 -45.52 93.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.718 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.645 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 24.1 mt -60.33 -46.71 88.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 110.893 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 51' ' ' ARG . 53.3 t -60.07 -43.42 92.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.3 -177.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.682 ' HD3' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -71.99 -45.12 62.15 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.768 178.492 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.682 ' N ' ' HD3' ' A' ' 56' ' ' ARG . 5.4 mm-40 -61.52 -42.9 99.5 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -176.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 41.7 mt -69.83 -29.57 66.87 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.249 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -68.82 -39.26 80.13 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.714 173.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.633 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 39.6 mt-10 -78.7 -33.5 46.79 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -176.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.519 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 4.1 mt-10 -89.5 -52.18 5.15 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.811 172.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.762 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 23.4 mt -101.05 6.11 43.26 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -166.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 45.05 34.25 4.11 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 114.869 0.707 . . . . 0.0 114.869 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.536 HG12 ' HB2' ' A' ' 62' ' ' LEU . 34.6 pt -123.59 145.12 31.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 117.985 0.892 . . . . 0.0 111.874 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.469 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 34.1 mt-10 -90.25 95.72 10.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.009 174.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.43 ' CB ' HD11 ' A' ' 58' ' ' LEU . . . -87.63 154.63 20.44 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.979 0.419 . . . . 0.0 111.478 -175.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.584 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 64.9 m -116.24 110.21 18.46 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.784 175.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 t -85.71 121.85 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -124.4 -83.72 0.58 Allowed Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.288 -0.958 . . . . 0.0 113.007 -174.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.542 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 15.4 pt-20 -89.17 134.02 34.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.399 0.619 . . . . 0.0 111.643 -173.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.533 ' HB3' ' CZ3' ' A' ' 89' ' ' TRP . 55.1 m-85 -81.15 132.78 35.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.126 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.53 ' HB ' ' O ' ' A' ' 88' ' ' ALA . 86.5 t -94.05 -70.8 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 120.76 0.314 . . . . 0.0 110.898 177.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -163.77 179.79 6.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.471 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.9 m -145.42 151.65 38.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.766 177.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -137.95 147.41 44.27 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -112.45 144.06 42.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.321 0.581 . . . . 0.0 111.693 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.619 ' HG3' HG13 ' A' ' 84' ' ' ILE . 16.4 ptt180 -154.97 173.89 15.92 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 173.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -119.74 151.45 38.75 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 119.562 -0.855 . . . . 0.0 111.067 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.576 ' HB ' HD12 ' A' ' 84' ' ' ILE . 2.9 p -122.38 95.1 3.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.343 172.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 p 45.31 67.87 0.66 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.078 -175.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.99 -19.15 23.33 Favored Glycine 0 CA--C 1.522 0.476 0 C-N-CA 121.072 -0.585 . . . . 0.0 114.364 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.487 ' HB2' HG11 ' A' ' 79' ' ' VAL . 63.6 mtt180 -95.75 133.62 39.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.569 0.684 . . . . 0.0 110.108 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.502 HD11 ' HB2' ' A' ' 6' ' ' MET . 1.7 mp -93.87 113.07 27.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-O 121.05 0.452 . . . . 0.0 110.443 -175.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.619 HG13 ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -90.87 131.25 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.621 178.67 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -116.63 97.28 5.91 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.269 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.577 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.6 mp -89.91 130.36 36.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -176.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.559 ' HB3' ' CZ2' ' A' ' 89' ' ' TRP . 71.8 m-70 -113.87 113.54 25.02 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.809 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.53 ' O ' ' HB ' ' A' ' 72' ' ' VAL . . . -93.77 104.99 17.05 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.166 177.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.559 ' CZ2' ' HB3' ' A' ' 87' ' ' HIS . 2.6 m95 -109.12 142.58 39.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.014 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.542 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 29.3 t-80 -90.87 117.74 29.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.417 -177.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.535 HG21 HG12 ' A' ' 16' ' ' ILE . 14.2 m -95.15 107.06 29.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 174.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.584 ' HD2' ' O ' ' A' ' 67' ' ' THR . 60.1 Cg_endo -71.28 -14.71 31.47 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.728 2.285 . . . . 0.0 112.984 -174.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -158.56 152.55 23.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.098 0.475 . . . . 0.0 111.357 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -144.55 140.3 28.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.432 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.469 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 41.2 t-80 -108.36 124.83 50.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.694 0.283 . . . . 0.0 110.551 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.74 -166.53 17.37 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.472 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.3 m -115.53 117.24 29.8 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.54 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -73.72 124.44 26.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.739 0.781 . . . . 0.0 111.049 -173.527 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.762 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 20.0 pt20 -124.89 159.31 31.42 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.71 -1.132 . . . . 0.0 108.69 -177.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 103' ' ' HIS . . . -107.02 107.18 18.06 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.533 177.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -89.17 -56.55 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.389 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.519 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 13.9 mt-10 -87.69 -51.52 5.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.706 177.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.547 ' CD2' ' HB3' ' A' ' 27' ' ' ARG . 77.2 m80 -69.81 163.93 24.74 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 177.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -86.6 -63.84 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -173.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -131.7 167.92 18.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.132 -175.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.528 ' HB3' HD12 ' A' ' 23' ' ' LEU . 2.4 mm? -121.77 139.21 53.88 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 -178.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.4 p -135.15 139.58 46.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.886 0.374 . . . . 0.0 110.989 173.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.475 ' HZ2' HD23 ' A' ' 98' ' ' LEU . 97.4 m95 -97.76 117.86 33.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.282 174.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.723 ' HG ' HD11 ' A' ' 24' ' ' LEU . 26.3 p -139.87 155.93 46.97 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 174.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.9 m -72.86 156.54 89.75 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -177.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.504 ' O ' HD13 ' A' ' 127' ' ' LEU . 3.9 Cg_endo -46.52 -49.05 12.51 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.467 2.778 . . . . 0.0 113.395 -177.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -66.4 -35.62 80.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.306 -177.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -70.4 -39.18 74.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.789 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.61 -39.06 72.95 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.123 -176.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.491 HD23 HD11 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -72.34 -14.2 61.67 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.862 0.363 . . . . 0.0 110.577 -175.158 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -87.18 -7.85 57.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.943 0.401 . . . . 0.0 110.593 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -83.83 160.91 57.31 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 176.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.488 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 50.3 Cg_endo -71.01 75.4 1.74 Allowed 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 121.973 1.782 . . . . 0.0 111.153 175.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.566 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 74.5 mt -80.99 153.45 27.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.697 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.8 148.35 76.19 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.35 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -55.4 -27.33 57.83 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.833 2.355 . . . . 0.0 113.214 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.462 ' HB1' ' HD3' ' A' ' 77' ' ' ARG . . . -92.39 -17.17 24.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.248 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -79.78 -28.79 40.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.338 0.589 . . . . 0.0 110.07 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.539 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 75.8 mt -63.48 -57.63 19.06 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.771 -174.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 18.9 Cg_endo -57.98 -27.15 78.04 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.496 2.131 . . . . 0.0 112.819 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.455 HD13 ' HB3' ' A' ' 86' ' ' LEU . 98.6 mt -73.65 -38.94 64.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.267 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.504 HD13 ' O ' ' A' ' 111' ' ' PRO . 3.2 tm? -76.28 -37.39 57.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.762 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 32.2 mt-10 -56.76 -40.8 76.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.525 0.202 . . . . 0.0 111.081 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.29 -25.58 51.47 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.269 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -67.82 -45.69 74.01 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.7 ptm -70.62 -35.16 72.8 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.014 176.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.57 -50.94 71.98 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.967 0.413 . . . . 0.0 111.558 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.536 ' O ' ' HA ' ' A' ' 137' ' ' ARG . 1.1 mp -65.18 -26.69 68.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.724 -173.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 134' ' ' ARG . 19.0 mtp180 -92.93 -22.11 19.41 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.685 -177.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.99 -38.1 13.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.991 0.425 . . . . 0.0 110.831 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -93.61 -21.69 19.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.29 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.536 ' HA ' ' O ' ' A' ' 133' ' ' LEU . 29.8 ptt180 40.95 67.24 3.04 Favored Pre-proline 0 N--CA 1.47 0.55 0 C-N-CA 124.312 1.045 . . . . 0.0 112.64 -176.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -88.22 136.24 3.4 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 122.681 2.254 . . . . 0.0 112.544 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -76.21 117.26 17.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.754 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 34.8 t70 . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.345 -0.836 . . . . 0.0 111.265 -178.086 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 112.206 -0.357 . . . . 0.0 112.206 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -65.44 -30.7 52.67 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.839 2.359 . . . . 0.0 112.046 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 mp -93.47 133.19 37.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.599 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.59 101.62 0.47 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.183 -0.532 . . . . 0.0 111.965 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -82.79 65.36 7.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.037 0.446 . . . . 0.0 110.594 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 41.4 mtm -95.4 93.77 7.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.582 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -89.49 151.83 21.77 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 173.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.2 mtt -97.94 131.9 43.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.545 0.688 . . . . 0.0 110.826 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.589 ' HB ' HG21 ' A' ' 84' ' ' ILE . 37.1 mt -105.4 117.03 50.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.017 -0.992 . . . . 0.0 108.964 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -93.67 123.97 37.35 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 92.6 t -128.53 129.05 68.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 m -102.0 133.73 44.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-O 121.053 0.454 . . . . 0.0 110.218 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.81 132.56 55.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.07 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.521 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -102.89 117.16 34.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.154 0.502 . . . . 0.0 110.816 -177.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 mt -97.73 100.95 11.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 174.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.481 HG12 ' CG2' ' A' ' 91' ' ' VAL . 36.8 mt -91.65 104.79 15.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.282 -176.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.537 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . 39.9 tt0 -111.93 113.97 26.6 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.137 -175.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.99 143.48 42.82 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 176.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 69.48 7.56 6.3 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.509 0.506 . . . . 0.0 111.004 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.28 -0.95 64.16 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -177.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 15.7 mmtp -113.96 154.69 27.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.462 -0.369 . . . . 0.0 110.345 -176.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.515 HG21 ' HE1' ' A' ' 39' ' ' PHE . 23.1 mt -104.19 142.85 16.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.472 HD22 HD13 ' A' ' 16' ' ' ILE . 39.2 tp -81.13 119.23 23.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.101 0.477 . . . . 0.0 110.621 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.598 HD12 ' HG ' ' A' ' 109' ' ' CYS . 8.5 mp -114.99 133.75 55.77 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.072 176.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' A' ' 37' ' ' TRP . . . -108.38 127.22 53.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.3 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -77.55 132.81 38.52 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.36 174.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.425 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 46.2 ttt-85 81.3 107.53 0.03 OUTLIER Pre-proline 0 C--N 1.327 -0.38 0 C-N-CA 124.427 1.091 . . . . 0.0 109.802 -177.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.571 ' HD2' ' HB2' ' A' ' 31' ' ' SER . 16.3 Cg_exo -65.33 -75.23 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 123.014 2.476 . . . . 0.0 112.511 -176.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -157.9 -78.27 0.08 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.351 -176.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -100.23 10.68 40.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.047 -176.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.571 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 48.6 m -75.25 108.24 7.88 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.99 176.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -63.7 -37.29 86.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.424 0.63 . . . . 0.0 109.622 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -73.19 119.83 17.98 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.032 -0.986 . . . . 0.0 110.306 173.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.46 172.17 8.36 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.105 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.11 -29.25 7.81 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.444 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 118' ' ' PRO . 2.0 mm? -74.27 141.99 45.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.666 0.269 . . . . 0.0 110.465 177.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.536 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 35.4 m0 -107.38 147.74 29.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.198 175.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.48 173.65 13.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.896 0.379 . . . . 0.0 111.528 177.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.515 ' HE1' HG21 ' A' ' 22' ' ' ILE . 96.5 m-85 -92.38 118.8 31.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.504 176.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.73 164.29 6.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.732 -177.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.82 -133.45 3.62 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -176.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.412 ' HA3' ' OE2' ' A' ' 57' ' ' GLU . . . 161.3 179.36 35.97 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.734 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -78.1 150.61 33.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.945 0.402 . . . . 0.0 110.48 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.7 t -99.11 126.3 52.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.649 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -84.91 143.75 40.71 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 171.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -55.1 -29.3 64.99 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.71 2.273 . . . . 0.0 113.094 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -70.7 -28.56 64.85 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -104.17 163.45 12.39 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.428 0.633 . . . . 0.0 111.551 -173.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.2 m -96.38 167.2 11.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.734 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -57.42 -57.03 14.43 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.119 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.514 ' O ' HG21 ' A' ' 55' ' ' VAL . 83.2 mtt180 -65.94 -28.5 68.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.208 0.528 . . . . 0.0 109.703 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -71.34 -43.45 66.97 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.394 -172.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.47 -47.33 86.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.875 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.666 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 31.5 mt -61.45 -43.18 99.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.726 0.298 . . . . 0.0 111.27 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.514 HG21 ' O ' ' A' ' 51' ' ' ARG . 53.8 t -61.96 -43.18 97.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.034 -177.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.507 ' HG3' ' N ' ' A' ' 57' ' ' GLU . 13.1 ptt85 -73.36 -44.47 58.65 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.241 -0.583 . . . . 0.0 110.879 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.507 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 5.3 mm-40 -58.2 -46.84 85.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.713 0.292 . . . . 0.0 111.538 -178.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 27.5 mt -69.38 -28.93 66.61 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.09 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 59' ' ' ARG . 21.6 ttt180 -65.1 -36.72 85.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.834 0.349 . . . . 0.0 110.86 174.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 28.8 mt-10 -82.55 -44.24 16.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.281 -177.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.438 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 76.8 mm-40 -91.52 -36.21 13.85 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -175.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.573 HD12 HD23 ' A' ' 58' ' ' LEU . 63.1 mt -110.09 3.85 20.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -174.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 55.6 21.87 30.07 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 114.914 0.725 . . . . 0.0 114.914 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.47 HG21 ' HA ' ' A' ' 98' ' ' LEU . 36.2 pt -122.83 144.55 31.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 118.105 0.952 . . . . 0.0 111.808 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.535 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 28.4 mt-10 -92.18 93.97 8.96 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 173.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.426 ' CB ' HD13 ' A' ' 58' ' ' LEU . . . -78.76 150.26 32.47 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.072 0.463 . . . . 0.0 111.938 -172.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.593 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 57.4 m -109.53 103.98 12.96 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 172.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.501 ' HA ' HG13 ' A' ' 91' ' ' VAL . 39.4 t -85.31 134.75 26.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.498 -175.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.677 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 177.34 74.87 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.221 -0.99 . . . . 0.0 112.596 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.677 ' HG2' ' O ' ' A' ' 69' ' ' GLY . 30.9 mm-40 173.04 103.74 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.122 1.369 . . . . 0.0 109.383 178.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -84.38 113.65 21.32 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 81.2 t -95.73 -70.17 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.801 0.334 . . . . 0.0 111.695 -176.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.98 168.84 22.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.975 0.417 . . . . 0.0 111.45 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.0 p -136.97 143.57 42.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.66 175.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -135.77 135.85 40.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.716 0.293 . . . . 0.0 110.468 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -109.23 145.62 35.58 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.435 0.636 . . . . 0.0 111.115 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -160.76 175.34 12.71 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -119.49 150.5 40.13 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.563 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.571 ' HB ' HD12 ' A' ' 84' ' ' ILE . 2.7 p -120.67 95.26 3.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.731 172.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.4 m 47.93 67.5 0.82 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.6 -177.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.7 -23.74 8.52 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 121.06 -0.59 . . . . 0.0 114.483 177.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.461 ' HB2' HG13 ' A' ' 79' ' ' VAL . 75.5 mtt180 -93.07 137.56 32.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.776 0.788 . . . . 0.0 110.158 -177.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mp -94.85 114.2 30.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.075 0.464 . . . . 0.0 110.562 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.589 HG21 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -90.79 138.29 19.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.81 178.615 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -118.95 100.79 7.59 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.231 -0.895 . . . . 0.0 108.902 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.452 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.5 mp -89.8 128.76 36.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.993 0.425 . . . . 0.0 111.294 -177.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -109.63 113.02 25.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.261 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.7 107.08 18.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.009 0.433 . . . . 0.0 110.711 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -107.01 130.41 54.65 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.427 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.537 ' NE2' ' HB3' ' A' ' 17' ' ' GLU . 14.8 t-80 -90.54 118.72 30.22 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.44 177.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.501 HG13 ' HA ' ' A' ' 68' ' ' VAL . 17.4 m -91.18 109.78 37.92 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-O 121.23 0.538 . . . . 0.0 109.98 177.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.593 ' HD2' ' O ' ' A' ' 67' ' ' THR . 56.0 Cg_endo -72.57 -11.99 26.63 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.666 2.244 . . . . 0.0 112.601 -178.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -155.62 150.81 26.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.243 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -147.15 138.37 23.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.697 174.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 33.1 t-80 -101.32 130.39 47.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.135 -178.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 109.36 -156.35 15.66 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.812 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.1 m -129.48 139.08 51.69 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.581 HD11 ' CZ2' ' A' ' 108' ' ' TRP . 0.7 OUTLIER -81.72 124.99 30.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.808 0.813 . . . . 0.0 111.394 -173.206 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 17.2 pt20 -138.3 137.72 37.7 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.716 -176.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.479 ' HB1' HD11 ' A' ' 106' ' ' LEU . . . -93.22 122.58 35.76 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -171.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -85.55 -77.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.515 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.438 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 42.5 mm-40 -79.35 -29.55 42.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.176 0.513 . . . . 0.0 111.264 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -81.78 157.14 24.6 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -178.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -93.41 -67.57 0.85 Allowed 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.337 -172.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.05 150.71 36.85 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.734 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.479 HD11 ' HB1' ' A' ' 100' ' ' ALA . 4.0 mp -123.16 130.21 52.46 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.412 HG12 ' CZ3' ' A' ' 37' ' ' TRP . 12.3 p -134.12 148.02 30.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.873 0.368 . . . . 0.0 111.171 -176.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.581 ' CZ2' HD11 ' A' ' 98' ' ' LEU . 22.2 m-90 -105.41 112.43 25.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.497 175.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.598 ' HG ' HD12 ' A' ' 24' ' ' LEU . 25.9 p -133.18 155.04 50.04 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.602 178.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.4 m -68.15 152.9 96.15 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.031 -178.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.579 ' O ' HD13 ' A' ' 127' ' ' LEU . 6.5 Cg_endo -49.32 -47.49 22.09 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.011 2.474 . . . . 0.0 112.788 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -64.84 -35.8 82.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.866 0.365 . . . . 0.0 111.193 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -74.43 -33.73 63.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.476 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.423 ' HB1' HD21 ' A' ' 24' ' ' LEU . . . -59.89 -39.97 87.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.557 -178.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.503 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -75.39 -11.97 60.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.989 0.423 . . . . 0.0 110.68 -176.138 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -80.48 -10.25 59.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.239 0.543 . . . . 0.0 110.321 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.616 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 36.9 m-85 -103.11 170.11 6.64 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.219 -174.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.616 ' HD2' ' HB3' ' A' ' 117' ' ' TYR . 62.0 Cg_endo -73.26 73.76 3.2 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.244 1.963 . . . . 0.0 112.496 -177.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.536 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 27.8 mt -81.02 149.01 29.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.68 175.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.602 ' HB1' ' OD1' ' A' ' 123' ' ' ASP . . . -65.25 154.78 86.53 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.863 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 120' ' ' ALA . 8.2 Cg_endo -50.2 -33.67 36.78 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.651 2.901 . . . . 0.0 114.13 -175.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.426 ' HB1' HD21 ' A' ' 86' ' ' LEU . . . -85.23 -21.89 28.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.781 0.324 . . . . 0.0 111.423 -176.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.602 ' OD1' ' HB1' ' A' ' 120' ' ' ALA . 1.7 m-20 -82.08 -23.83 35.55 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.819 -173.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.444 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 76.4 mt -62.71 -58.07 18.68 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.234 -177.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.444 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 19.1 Cg_endo -59.85 -24.53 76.38 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 122.477 2.118 . . . . 0.0 112.61 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.3 mt -76.35 -44.42 36.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.102 0.477 . . . . 0.0 110.033 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 111' ' ' PRO . 3.1 tm? -71.16 -37.54 72.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.068 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -50.76 -45.56 59.03 Favored 'General case' 0 N--CA 1.461 0.099 0 O-C-N 123.15 0.281 . . . . 0.0 111.03 175.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.485 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . . . -80.85 -17.19 51.53 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.673 -178.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -75.81 -48.04 23.27 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.1 ptm -67.34 -33.46 75.29 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.398 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.485 ' HB2' ' HA ' ' A' ' 129' ' ' ALA . . . -60.41 -39.7 88.35 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.93 0.395 . . . . 0.0 110.86 172.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.82 -37.73 85.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.581 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -79.15 -20.85 47.49 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -87.27 -37.35 17.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.968 0.413 . . . . 0.0 110.609 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -92.9 -46.84 7.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.49 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 59.83 100.89 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.375 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.226 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -51.25 107.2 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.468 2.778 . . . . 0.0 113.334 -175.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -173.44 30.8 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.422 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 C--O 1.248 1.004 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.818 -173.798 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.808 0 N-CA-C 112.111 -0.396 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.29 -64.61 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.705 2.27 . . . . 0.0 111.641 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.7 tp -96.5 115.76 27.96 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 173.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.54 29.46 6.26 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.638 -176.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 p -62.0 -53.08 60.65 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.049 0.452 . . . . 0.0 110.285 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -68.16 112.83 5.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.394 172.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -87.25 161.6 17.91 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.999 0.428 . . . . 0.0 111.124 -174.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 64.7 mtt -105.71 144.96 31.73 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.091 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.734 HD13 HG13 ' A' ' 79' ' ' VAL . 20.6 mt -106.42 115.5 48.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 173.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.53 113.33 24.98 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -171.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.566 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 99.4 t -124.22 127.91 73.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.097 0.475 . . . . 0.0 109.837 -175.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 m -98.88 131.26 46.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 176.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.34 131.93 55.26 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -177.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.51 ' HB1' HD22 ' A' ' 54' ' ' LEU . . . -102.13 119.95 39.65 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 121.113 0.482 . . . . 0.0 110.77 -175.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.559 HG12 ' CD2' ' A' ' 39' ' ' PHE . 4.5 mt -94.88 100.04 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.162 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 173.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.481 HD13 HD22 ' A' ' 23' ' ' LEU . 35.4 mt -91.73 101.73 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.528 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . 3.3 tm-20 -119.83 126.08 50.12 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.703 -173.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' A' ' 19' ' ' ASP . 16.3 tpt180 -149.2 143.73 26.11 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 177.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.453 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 18.1 t70 81.46 -22.49 0.26 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.374 0.67 . . . . 0.0 110.939 -174.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.04 5.55 28.74 Favored Glycine 0 N--CA 1.441 -0.975 0 N-CA-C 109.776 -1.329 . . . . 0.0 109.776 -163.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 4.7 mttp -114.32 145.79 41.32 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.177 -0.512 . . . . 0.0 109.884 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.1 mt -106.74 147.23 12.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.481 HD22 HD13 ' A' ' 16' ' ' ILE . 53.9 tp -89.09 122.63 32.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.239 0.543 . . . . 0.0 111.35 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.522 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 7.2 mp -111.9 138.82 48.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.93 178.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.26 114.82 22.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.302 0.572 . . . . 0.0 110.709 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.66 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 31.9 tt0 -69.77 106.57 3.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.611 -175.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.66 ' HB2' ' O ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER 158.53 103.38 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.498 0 O-C-N 124.705 1.253 . . . . 0.0 108.167 173.809 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.506 ' HG2' ' H ' ' A' ' 32' ' ' ASP . 44.6 Cg_endo -81.24 -154.9 0.06 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.543 2.162 . . . . 0.0 111.492 -176.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -144.08 -42.62 0.26 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -175.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -95.72 3.72 53.62 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.188 0.518 . . . . 0.0 110.496 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.8 m -119.78 -47.72 2.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.574 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.506 ' H ' ' HG2' ' A' ' 28' ' ' PRO . 14.6 m-20 69.06 -0.35 2.49 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.399 177.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -85.04 143.13 29.09 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.5 146.46 32.67 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.124 0.488 . . . . 0.0 110.86 -178.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.76 -29.49 7.46 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.794 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.539 ' HA ' ' HG2' ' A' ' 118' ' ' PRO . 4.0 mp -86.99 153.89 21.2 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.215 0.531 . . . . 0.0 111.58 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -118.85 154.18 33.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.387 -174.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.699 ' HG3' ' HE1' ' A' ' 103' ' ' HIS . 10.4 pt-20 -156.12 161.99 40.29 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 172.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CD2' HG12 ' A' ' 15' ' ' ILE . 6.8 m-30 -82.14 145.75 29.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.939 0.4 . . . . 0.0 110.218 -176.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.53 164.76 26.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.293 -175.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.61 -136.76 4.89 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -178.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.05 175.38 34.86 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.383 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -78.23 150.66 33.41 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.4 t -91.77 126.34 44.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.381 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 42.8 mt-10 -97.41 135.68 21.67 Favored Pre-proline 0 C--N 1.319 -0.731 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 173.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.03 14.73 0.07 OUTLIER 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.548 2.832 . . . . 0.0 115.237 -168.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -102.2 -21.26 14.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.407 0.622 . . . . 0.0 110.641 173.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 14.6 pt-20 -109.85 152.36 25.87 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.758 -174.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.3 t -81.89 161.91 22.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.958 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -54.95 -40.68 70.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.725 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.521 ' O ' HG21 ' A' ' 55' ' ' VAL . 81.5 mtt180 -67.36 -40.79 85.83 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 110.012 178.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -67.31 -40.11 85.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.094 -175.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.69 -46.48 87.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.454 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.73 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 67.6 mt -59.97 -48.35 82.06 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.163 0.506 . . . . 0.0 110.337 177.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.521 HG21 ' O ' ' A' ' 51' ' ' ARG . 71.2 t -59.78 -46.58 93.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.527 -176.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.607 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 8.0 ppt_? -77.15 -40.13 46.67 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.342 -176.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.401 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 4.5 mm-40 -61.64 -40.76 96.01 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.168 -0.213 . . . . 0.0 111.399 177.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.73 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 40.7 mt -70.73 -29.06 65.21 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 120.262 -0.575 . . . . 0.0 109.847 176.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -66.24 -37.09 84.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.893 0.378 . . . . 0.0 110.674 173.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.607 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 31.2 mt-10 -81.11 -39.35 25.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.618 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.699 ' CD ' ' HB2' ' A' ' 102' ' ' GLU . 1.0 OUTLIER -84.51 -53.26 5.54 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.792 0.294 . . . . 0.0 111.792 179.057 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.721 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 25.2 mt -104.1 8.51 36.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.709 -167.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 46.64 31.71 5.32 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 114.986 0.755 . . . . 0.0 114.986 -175.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.538 HG12 ' HB2' ' A' ' 62' ' ' LEU . 42.3 pt -122.52 142.85 37.38 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 CA-C-N 118.167 0.984 . . . . 0.0 111.574 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -89.06 97.61 11.3 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.856 175.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.497 ' HB2' HG11 ' A' ' 91' ' ' VAL . . . -82.2 150.5 27.33 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.296 0.57 . . . . 0.0 111.873 -174.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.559 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 27.8 m -115.18 112.21 22.16 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.21 173.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.0 t -96.92 128.95 47.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.732 -175.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.85 64.67 0.1 OUTLIER Glycine 0 C--N 1.333 0.41 0 C-N-CA 119.856 -1.164 . . . . 0.0 114.036 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.471 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 11.5 pt-20 164.18 109.17 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.027 0.931 . . . . 0.0 109.827 177.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -79.5 127.02 31.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.124 -174.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.43 ' HA ' HD23 ' A' ' 133' ' ' LEU . 91.1 t -94.6 -70.04 0.65 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.309 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -167.96 -176.72 3.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.87 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.3 m -148.07 150.65 34.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.544 176.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -140.09 146.64 39.16 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -112.86 142.09 45.92 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.291 0.567 . . . . 0.0 111.235 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.592 ' HD3' ' HB2' ' A' ' 122' ' ' ALA . 28.2 ptt180 -145.08 160.29 41.63 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 176.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -108.61 142.0 39.71 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 119.091 -1.043 . . . . 0.0 110.137 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.734 HG13 HD13 ' A' ' 9' ' ' ILE . 2.1 p -112.32 93.22 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 174.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.3 m 36.54 66.84 0.36 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.677 -1.147 . . . . 0.0 112.551 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.6 -22.36 34.29 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 120.701 -0.761 . . . . 0.0 114.579 176.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.528 ' HD2' HD11 ' A' ' 9' ' ' ILE . 50.3 mtt180 -110.63 152.23 26.73 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 117.836 0.818 . . . . 0.0 110.493 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.434 ' N ' HD13 ' A' ' 83' ' ' ILE . 2.7 mp -102.48 113.27 38.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.694 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -86.07 134.14 28.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.15 0.5 . . . . 0.0 110.212 177.334 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -112.75 97.7 6.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.481 -177.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.566 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.9 mp -90.71 124.04 34.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.722 0.296 . . . . 0.0 111.247 -176.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -109.04 116.81 32.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.905 175.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -96.62 116.11 28.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.173 0.511 . . . . 0.0 111.203 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -116.76 147.53 41.97 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.252 175.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.528 ' NE2' ' HB3' ' A' ' 17' ' ' GLU . 10.0 t-160 -96.55 127.49 42.59 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 173.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.497 HG11 ' HB2' ' A' ' 66' ' ' ALA . 13.8 m -91.26 105.23 11.89 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-O 121.168 0.509 . . . . 0.0 109.689 174.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.559 ' HD2' ' O ' ' A' ' 67' ' ' THR . 26.0 Cg_endo -62.86 -22.23 73.7 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.767 2.312 . . . . 0.0 112.078 179.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -145.23 144.29 30.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.875 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -146.1 132.89 20.03 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.722 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -112.5 119.23 37.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.741 -176.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 131.67 -165.13 23.43 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.183 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.1 m -115.91 113.78 23.77 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.52 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -69.04 121.14 16.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.667 0.746 . . . . 0.0 111.086 -176.05 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.721 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 10.8 pt20 -132.92 167.76 19.66 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.286 -177.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.466 ' HB1' HD12 ' A' ' 106' ' ' LEU . . . -102.23 137.39 40.55 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.427 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.562 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 16.1 t60 -125.07 -58.14 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.699 ' HB2' ' CD ' ' A' ' 61' ' ' GLU . 6.4 mm-40 -85.29 -42.26 14.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.707 177.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.699 ' HE1' ' HG3' ' A' ' 38' ' ' GLU . 11.7 m-70 -86.11 -179.39 6.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.913 175.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -112.52 -69.8 0.84 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -172.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.25 162.49 14.03 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.342 -0.224 . . . . 0.0 110.593 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.522 ' HA ' ' O ' ' A' ' 24' ' ' LEU . 5.6 mp -137.93 136.8 37.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.027 0.441 . . . . 0.0 111.025 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.2 p -132.95 146.6 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.744 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -103.75 117.92 35.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.995 174.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 26.2 p -140.51 155.49 46.62 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.006 175.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.5 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 24.6 m -72.07 160.21 83.32 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 -177.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.5 ' HD2' ' HB3' ' A' ' 110' ' ' SER . 2.6 Cg_endo -46.94 -50.76 10.34 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.473 2.782 . . . . 0.0 113.596 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -67.75 -35.36 78.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.9 0.381 . . . . 0.0 110.692 -177.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.419 ' HA ' ' NE2' ' A' ' 116' ' ' GLN . 43.6 mm-40 -68.05 -38.87 82.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.734 177.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.57 -41.55 73.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.596 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.571 ' HG ' HD12 ' A' ' 127' ' ' LEU . 14.3 mt -72.9 -12.34 60.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.039 -176.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 113' ' ' GLU . 50.5 mt-30 -83.87 -11.96 56.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.017 0.437 . . . . 0.0 110.562 175.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.471 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 48.4 m-85 -89.64 164.43 29.25 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.335 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.539 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 42.9 Cg_endo -72.75 79.79 1.86 Allowed 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.324 2.016 . . . . 0.0 111.708 177.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.406 HD11 HD23 ' A' ' 115' ' ' LEU . 63.6 mt -89.75 152.88 21.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.423 178.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.467 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -66.24 155.85 86.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 176.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 120' ' ' ALA . 19.0 Cg_endo -59.37 -14.48 25.07 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.086 2.524 . . . . 0.0 113.698 -176.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.592 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -96.31 -26.38 15.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.544 0.211 . . . . 0.0 111.04 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.467 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 2.4 m-20 -78.25 -24.86 46.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.431 -175.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.459 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 81.4 mt -65.07 -58.79 11.55 Favored Pre-proline 0 CA--C 1.539 0.528 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.905 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.459 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 12.3 Cg_endo -57.9 -30.63 90.31 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 122.555 2.17 . . . . 0.0 112.775 178.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 95.9 mt -70.67 -38.58 73.79 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.139 0.495 . . . . 0.0 109.939 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.571 HD12 ' HG ' ' A' ' 115' ' ' LEU . 1.8 tm? -72.15 -39.5 68.7 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.748 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -52.21 -42.4 63.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.769 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.514 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -82.54 -19.29 38.9 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -73.1 -45.76 55.22 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 177.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.6 ptm -70.95 -31.19 67.7 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.505 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -61.23 -40.57 94.52 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 120.794 0.33 . . . . 0.0 110.996 172.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 72' ' ' VAL . 1.4 mp -66.71 -37.15 84.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.453 -177.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -81.6 -15.45 54.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.035 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.43 -37.18 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 111.036 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -92.49 -36.47 13.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.648 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.405 ' HA ' ' HD2' ' A' ' 138' ' ' PRO . 35.1 ttm180 64.76 105.45 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.059 -178.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 137' ' ' ARG . 59.3 Cg_endo -72.03 112.36 3.39 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.108 1.872 . . . . 0.0 110.745 171.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -75.51 -30.55 59.84 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.436 -176.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 3.5 p30 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.423 -0.799 . . . . 0.0 109.503 179.748 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 111.886 -0.486 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -83.52 -23.25 3.45 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.032 2.488 . . . . 0.0 113.346 -176.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.6 tt -111.61 127.11 55.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.981 0.42 . . . . 0.0 110.486 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.42 -49.09 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.983 -0.627 . . . . 0.0 111.664 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m 71.29 -58.58 0.57 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.575 0.75 . . . . 0.0 111.383 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -96.03 151.97 18.96 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 173.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.734 ' HB2' ' HG2' ' A' ' 82' ' ' ARG . 85.8 mttt -103.95 122.64 45.64 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -178.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.6 mtt -101.93 130.47 48.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.523 0.677 . . . . 0.0 111.391 -175.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.646 ' HB ' HG23 ' A' ' 84' ' ' ILE . 41.4 mt -109.29 111.6 36.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 114.594 -1.184 . . . . 0.0 108.533 177.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -96.38 120.23 36.31 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -176.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.453 ' HB ' ' HG ' ' A' ' 86' ' ' LEU . 60.0 t -123.24 139.0 51.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -178.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.442 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 2.6 m -111.78 133.65 56.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-O 121.062 0.458 . . . . 0.0 110.421 175.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.25 131.51 55.89 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.485 ' HB2' HD23 ' A' ' 54' ' ' LEU . . . -102.93 119.17 38.38 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.17 0.51 . . . . 0.0 110.31 -177.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.427 HG22 ' CG2' ' A' ' 22' ' ' ILE . 5.3 mt -95.24 99.86 10.05 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 176.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.817 HG13 HD22 ' A' ' 23' ' ' LEU . 2.1 mm -82.8 102.81 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.492 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 41.9 tt0 -109.4 113.3 26.0 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.211 -176.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.432 ' NH1' ' HA ' ' A' ' 93' ' ' ASP . 10.6 tpt180 -124.84 123.13 39.28 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.111 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 63.66 18.2 10.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.667 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.64 4.7 60.47 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 9.6 mttp -117.29 149.72 39.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.787 0.327 . . . . 0.0 110.72 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.567 HG21 ' HE1' ' A' ' 39' ' ' PHE . 12.5 mt -105.02 144.44 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.951 -174.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.817 HD22 HG13 ' A' ' 16' ' ' ILE . 52.7 tp -86.39 123.05 31.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.223 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.584 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 42.7 mt -117.01 146.01 43.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.785 175.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.47 122.42 40.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.15 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.47 106.41 2.97 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.524 0.678 . . . . 0.0 111.361 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.594 ' HB3' ' OE2' ' A' ' 38' ' ' GLU . 59.9 ttt180 -178.26 140.99 0.41 Allowed Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 113.931 -1.486 . . . . 0.0 108.019 169.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.574 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 47.7 Cg_endo -74.19 -39.51 1.6 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 121.438 1.425 . . . . 0.0 111.555 174.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 66.5 -69.94 0.11 Allowed 'General case' 0 N--CA 1.468 0.459 0 O-C-N 124.414 1.071 . . . . 0.0 111.643 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -82.7 -2.93 55.58 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.56 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.574 ' HB2' ' HB2' ' A' ' 28' ' ' PRO . 45.5 m -127.0 158.02 38.02 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.227 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -79.74 -45.66 18.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.02 0.438 . . . . 0.0 110.705 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -61.42 119.97 9.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.029 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.431 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . . . -92.35 -178.61 4.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 0.0 111.657 -176.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.89 -12.09 57.62 Favored Glycine 0 CA--C 1.508 -0.355 0 C-N-CA 121.252 -0.499 . . . . 0.0 111.882 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.576 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 7.7 mp -84.93 156.51 21.18 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.821 -0.689 . . . . 0.0 111.386 -178.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.584 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 42.5 m95 -113.61 146.82 39.13 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 175.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.594 ' OE2' ' HB3' ' A' ' 27' ' ' ARG . 17.0 pt-20 -135.51 161.43 35.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.599 0.238 . . . . 0.0 110.859 -173.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' HE1' HG21 ' A' ' 22' ' ' ILE . 94.8 m-85 -85.98 117.02 24.56 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 172.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.63 151.33 25.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.303 -176.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 168.2 -146.6 10.62 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.39 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.521 ' HA3' ' HG3' ' A' ' 57' ' ' GLU . . . 176.92 172.46 41.55 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.298 -0.953 . . . . 0.0 113.173 -178.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -78.19 148.83 33.86 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.841 0.353 . . . . 0.0 110.361 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.6 t -96.19 124.5 48.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.411 -175.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.508 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 45.4 mt-10 -79.24 132.88 61.61 Favored Pre-proline 0 N--CA 1.445 -0.697 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 169.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.45 -30.01 71.48 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.5 2.134 . . . . 0.0 112.256 -176.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -84.85 2.62 41.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.649 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.605 ' HB2' HE21 ' A' ' 52' ' ' GLN . 20.1 pt-20 -123.13 163.56 20.33 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 173.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.8 m -83.33 158.92 21.99 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.243 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -67.68 -39.35 84.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.475 ' O ' HG23 ' A' ' 55' ' ' VAL . 55.1 mtt180 -65.87 -36.33 83.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.3 0.572 . . . . 0.0 109.484 173.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.605 HE21 ' HB2' ' A' ' 48' ' ' GLU . 30.7 tt0 -71.68 -40.67 69.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.297 -174.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.35 -44.23 95.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.453 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.703 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 16.9 mt -60.65 -45.58 93.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.886 0.374 . . . . 0.0 110.982 175.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 51' ' ' ARG . 44.2 t -58.62 -43.89 88.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.8 -178.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.67 ' HD3' ' N ' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -74.87 -44.93 46.3 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.329 -179.449 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.67 ' N ' ' HD3' ' A' ' 56' ' ' ARG . 10.0 mm-40 -60.29 -42.03 94.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.594 0.235 . . . . 0.0 111.429 -178.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.703 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 35.9 mt -70.47 -33.57 71.41 Favored 'General case' 0 C--O 1.219 -0.52 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.769 178.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -64.79 -37.49 87.79 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.838 0.352 . . . . 0.0 110.792 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.643 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 30.3 mt-10 -84.56 -38.29 20.15 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.545 -177.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.433 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 71.9 mm-40 -85.31 -52.18 6.07 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.592 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 57.4 mt -93.24 -21.61 19.51 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.096 -172.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.68 22.13 60.51 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 119.96 -1.114 . . . . 0.0 111.325 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.422 HG12 ' HB2' ' A' ' 62' ' ' LEU . 44.4 pt -119.57 142.36 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.162 0.506 . . . . 0.0 111.094 -177.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.428 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 47.4 mt-10 -90.18 93.16 9.25 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 174.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.86 155.29 21.8 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.017 -172.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.635 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 31.2 m -113.29 112.61 24.01 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.21 174.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.0 t -94.09 121.86 45.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -124.14 -80.55 0.46 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.203 -0.998 . . . . 0.0 113.051 -174.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.798 ' HG2' ' HB3' ' A' ' 90' ' ' HIS . 2.0 pm0 -89.6 129.26 36.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.368 0.604 . . . . 0.0 112.253 -174.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -81.22 136.2 35.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.849 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.6 t -100.99 -70.96 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.56 162.13 41.55 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 120.248 -0.581 . . . . 0.0 112.031 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 70.5 m -130.33 146.16 51.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.962 176.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -135.17 139.63 44.73 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -108.59 146.26 33.6 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.278 0.561 . . . . 0.0 111.18 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -158.27 171.14 20.73 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 174.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.443 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 11.0 pt-20 -114.95 148.3 38.89 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.357 -0.937 . . . . 0.0 111.209 -177.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.577 ' HB ' HD12 ' A' ' 84' ' ' ILE . 2.7 p -122.98 95.12 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.101 175.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.1 m 48.53 65.42 1.35 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.057 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.67 2.69 88.46 Favored Glycine 0 CA--C 1.522 0.515 0 C-N-CA 121.173 -0.537 . . . . 0.0 114.211 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.734 ' HG2' ' HB2' ' A' ' 7' ' ' LYS . 78.4 mtm180 -117.39 146.47 43.41 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 117.402 0.601 . . . . 0.0 110.921 177.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.1 mp -101.33 115.04 42.32 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 120.817 0.342 . . . . 0.0 111.498 -176.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.646 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -92.94 139.06 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.732 175.652 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -125.42 100.56 6.54 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.718 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.453 ' HG ' ' HB ' ' A' ' 11' ' ' VAL . 7.1 mp -87.95 133.72 33.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.16 -178.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -116.35 115.24 25.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.167 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.479 ' HB3' HD22 ' A' ' 126' ' ' LEU . . . -89.8 110.15 21.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.99 0.424 . . . . 0.0 110.871 177.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -105.73 139.88 39.63 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.595 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.798 ' HB3' ' HG2' ' A' ' 70' ' ' GLU . 52.9 t-80 -85.04 121.01 27.2 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.15 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.475 ' HB ' ' HA ' ' A' ' 16' ' ' ILE . 61.6 t -96.37 99.77 5.89 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 174.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.635 ' HD2' ' O ' ' A' ' 67' ' ' THR . 31.4 Cg_endo -86.1 -11.56 6.36 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.955 2.437 . . . . 0.0 112.389 -174.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 11.7 t70 -158.41 146.24 18.24 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.423 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -148.93 146.09 27.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.443 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.428 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 59.9 t60 -107.74 120.87 43.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.983 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.03 -165.39 20.25 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.334 176.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 86.7 m -121.18 127.61 51.68 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.585 HD23 HD23 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -80.36 124.88 29.26 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.671 0.748 . . . . 0.0 111.055 -172.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.592 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 20.1 pt20 -128.05 155.84 43.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.523 -176.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -106.33 107.08 17.91 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.396 -0.522 . . . . 0.0 112.083 -176.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -80.48 -72.06 0.43 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.605 174.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.509 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 17.1 mm-40 -78.8 -18.97 53.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.925 -178.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -105.48 170.83 7.66 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -175.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -88.42 -74.25 0.47 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.201 -0.6 . . . . 0.0 111.752 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -127.22 168.24 14.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.139 -175.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.471 ' HB3' HD11 ' A' ' 23' ' ' LEU . 2.9 mm? -118.72 142.81 47.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.297 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.9 p -134.41 142.59 40.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.886 0.374 . . . . 0.0 110.776 174.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.495 ' CZ2' HD11 ' A' ' 98' ' ' LEU . 21.0 m-90 -104.09 110.67 22.94 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 175.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.7 p -134.42 154.31 51.45 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.884 -176.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.507 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 26.1 m -71.97 156.92 90.38 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.534 ' O ' HD11 ' A' ' 127' ' ' LEU . 52.0 Cg_exo -47.42 -54.9 4.46 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.274 2.649 . . . . 0.0 113.769 -176.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.432 ' CD ' ' H ' ' A' ' 112' ' ' GLU . 0.5 OUTLIER -72.82 -24.67 60.93 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.564 -174.562 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.507 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 42.2 mm-40 -66.88 -42.15 86.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.262 172.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 117' ' ' TYR . . . -57.32 -35.63 70.1 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.286 -177.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.583 ' HG ' HD13 ' A' ' 127' ' ' LEU . 18.4 mt -75.06 -11.77 60.17 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.634 -178.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -83.63 -12.97 55.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.292 0.568 . . . . 0.0 109.872 172.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.428 ' HB2' ' O ' ' A' ' 114' ' ' ALA . 27.8 m-85 -85.55 156.31 59.09 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.179 178.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.576 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 55.4 Cg_endo -70.89 81.53 1.09 Allowed 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.869 1.713 . . . . 0.0 111.419 176.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.54 HD12 HD22 ' A' ' 115' ' ' LEU . 79.7 mt -88.72 152.68 21.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.976 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.6 ' HB1' ' OD1' ' A' ' 123' ' ' ASP . . . -66.48 154.54 90.73 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.385 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -62.91 -8.23 13.29 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.685 2.257 . . . . 0.0 113.667 -175.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -98.74 -20.98 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.136 0.493 . . . . 0.0 110.37 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.6 ' OD1' ' HB1' ' A' ' 120' ' ' ALA . 1.6 m-20 -84.17 -27.9 27.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.765 -176.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.619 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 72.8 mt -62.98 -58.74 14.94 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.35 -176.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 9.3 Cg_endo -52.62 -34.46 63.49 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 122.896 2.397 . . . . 0.0 112.718 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.479 HD22 ' HB3' ' A' ' 88' ' ' ALA . 5.9 mp -70.52 -39.11 74.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.798 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.583 HD13 ' HG ' ' A' ' 115' ' ' LEU . 2.2 tm? -72.56 -38.58 67.92 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.619 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 38.8 mt-10 -53.6 -42.69 67.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.768 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.437 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -80.63 -20.2 43.66 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.317 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -73.1 -46.81 49.18 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.2 ptm -69.46 -32.57 71.57 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.799 175.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -57.04 -41.24 78.27 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-O 120.868 0.365 . . . . 0.0 110.899 172.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.422 ' O ' ' HD3' ' A' ' 138' ' ' PRO . 3.2 mp -65.7 -43.64 88.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.691 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -72.52 -18.36 61.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.817 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -92.45 -37.43 12.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.625 0.25 . . . . 0.0 111.671 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -94.34 -13.36 26.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.302 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 137' ' ' ARG . 4.4 ptp180 41.07 91.32 0.06 OUTLIER Pre-proline 0 N--CA 1.474 0.729 0 O-C-N 124.512 1.133 . . . . 0.0 113.136 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 133' ' ' LEU . 32.0 Cg_exo -61.19 141.94 95.06 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.862 2.375 . . . . 0.0 112.255 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -147.76 106.47 3.81 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.996 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 23.2 t70 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.27 -0.872 . . . . 0.0 109.618 -178.56 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 111.704 -0.558 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -77.23 -28.93 5.35 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.312 2.008 . . . . 0.0 111.402 176.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.444 HD21 ' N ' ' A' ' 4' ' ' GLY . 6.8 tt -173.16 139.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' N ' HD21 ' A' ' 3' ' ' LEU . . . -63.74 101.39 0.46 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.019 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 p -58.41 106.8 0.42 Allowed 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.39 0.614 . . . . 0.0 110.901 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.513 ' HB3' HD11 ' A' ' 83' ' ' ILE . 68.8 mtm -86.47 85.31 7.31 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.917 -176.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -88.46 153.34 21.24 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 169.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 64.4 mtm -96.86 126.9 42.34 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.472 0.653 . . . . 0.0 110.593 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.49 HD11 ' CG1' ' A' ' 79' ' ' VAL . 23.0 mt -105.13 117.0 50.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.303 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -95.77 122.68 38.8 Favored 'General case' 0 C--N 1.306 -1.305 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.743 -178.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.6 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 93.1 t -124.7 124.85 68.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.441 ' CG2' ' HG ' ' A' ' 54' ' ' LEU . 2.5 m -99.16 131.3 46.69 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 CA-C-O 121.161 0.505 . . . . 0.0 110.368 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.55 129.05 55.6 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.479 ' HB1' HD22 ' A' ' 54' ' ' LEU . . . -101.11 113.59 26.75 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 121.166 0.507 . . . . 0.0 110.18 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.439 HG21 ' CG2' ' A' ' 22' ' ' ILE . 7.8 mt -88.89 99.66 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.216 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 176.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.834 HG13 HD21 ' A' ' 23' ' ' LEU . 2.2 mm -86.11 101.14 10.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -175.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.509 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 34.7 tt0 -103.22 113.28 26.64 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.882 -175.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -127.37 126.55 42.69 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.188 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 70.85 -0.71 2.91 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.722 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.35 -0.5 29.54 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.399 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 4.5 mtpt -111.64 155.74 22.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.715 0.293 . . . . 0.0 110.358 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.439 ' CG2' HG21 ' A' ' 15' ' ' ILE . 23.6 mt -104.5 146.91 11.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.302 -176.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.834 HD21 HG13 ' A' ' 16' ' ' ILE . 60.4 tp -88.96 119.85 29.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.318 -178.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.532 HD11 ' SG ' ' A' ' 109' ' ' CYS . 7.5 mp -114.02 137.66 51.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.861 177.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.36 120.36 37.93 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.107 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -69.0 117.51 10.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.164 0.507 . . . . 0.0 111.54 -177.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.465 ' HD3' ' OE1' ' A' ' 38' ' ' GLU . 37.3 ttt180 -175.19 127.79 0.4 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 114.663 -1.153 . . . . 0.0 108.86 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.701 ' HG3' ' HA ' ' A' ' 34' ' ' ALA . 10.5 Cg_endo -87.49 -80.79 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 122.352 2.035 . . . . 0.0 112.322 177.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 28' ' ' PRO . . . 168.8 -82.18 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.695 0.798 . . . . 0.0 109.332 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -111.73 -17.13 13.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.504 177.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.411 ' O ' ' HG2' ' A' ' 28' ' ' PRO . 15.1 m -71.24 128.63 36.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.69 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -91.83 6.17 47.12 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.385 0.612 . . . . 0.0 109.927 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -75.95 -25.0 55.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.513 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.701 ' HA ' ' HG3' ' A' ' 28' ' ' PRO . . . 56.16 -160.12 0.21 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.797 178.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.16 -28.7 5.98 Favored Glycine 0 N--CA 1.452 -0.239 0 CA-C-N 116.053 -0.521 . . . . 0.0 113.282 175.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.504 HD11 ' HB3' ' A' ' 28' ' ' PRO . 13.1 mt -76.53 148.31 37.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.806 0.336 . . . . 0.0 111.424 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -113.95 147.64 38.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.156 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.465 ' OE1' ' HD3' ' A' ' 27' ' ' ARG . 6.2 pt-20 -134.64 164.47 27.42 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -89.91 141.25 28.82 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.51 152.06 44.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.658 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.63 -145.39 11.03 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.033 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.79 177.7 38.78 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.379 -178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.49 ' HG2' ' N ' ' A' ' 44' ' ' VAL . 75.3 tttt -78.08 153.74 31.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.975 0.416 . . . . 0.0 110.765 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.49 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 47.0 t -109.4 126.76 66.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.793 176.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.54 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 9.1 tp10 -86.54 127.92 58.84 Favored Pre-proline 0 C--N 1.318 -0.803 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 169.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.502 ' HD2' ' OE2' ' A' ' 45' ' ' GLU . 8.7 Cg_endo -52.01 -15.53 3.45 Favored 'Trans proline' 0 CA--C 1.535 0.538 0 C-N-CA 123.073 2.515 . . . . 0.0 114.042 -175.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -79.05 -22.25 45.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.92 0.391 . . . . 0.0 111.186 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 13.8 pt-20 -108.26 163.97 12.72 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 177.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.4 m -87.08 154.29 20.87 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 -177.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -61.47 -41.01 96.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.295 -177.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.435 ' HB3' ' HB ' ' A' ' 68' ' ' VAL . 87.5 mtt180 -69.39 -33.32 72.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.917 0.389 . . . . 0.0 110.241 176.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -72.4 -40.79 66.94 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.468 -175.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -59.65 -43.84 93.74 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.422 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.699 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 15.8 mt -59.65 -44.05 93.68 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.001 0.429 . . . . 0.0 110.799 174.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.3 t -60.51 -42.23 90.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.23 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 53' ' ' ALA . 5.6 ppt_? -75.86 -42.88 48.15 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.109 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -60.25 -44.46 95.23 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.699 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 37.6 mt -68.3 -32.17 72.12 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.412 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.457 ' O ' ' HA2' ' A' ' 63' ' ' GLY . 32.2 ttt180 -63.41 -33.81 76.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.374 0.606 . . . . 0.0 110.57 178.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -89.04 -38.48 14.36 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.015 -176.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.621 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 63.9 mm-40 -85.65 -51.14 6.66 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.601 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.513 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 58.1 mt -94.52 -20.54 19.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.758 -174.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . 80.07 24.65 59.23 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.235 -0.983 . . . . 0.0 111.156 175.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.513 HD12 ' HB2' ' A' ' 94' ' ' PHE . 29.2 pt -124.86 146.31 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.397 0.618 . . . . 0.0 111.706 -176.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -90.23 98.58 11.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.091 174.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 94' ' ' PHE . . . -89.2 151.34 22.22 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.285 0.564 . . . . 0.0 112.183 -171.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.686 ' HB ' ' HB3' ' A' ' 93' ' ' ASP . 29.8 m -112.03 103.63 11.84 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.875 173.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.435 ' HB ' ' HB3' ' A' ' 51' ' ' ARG . 36.7 t -87.5 127.55 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.554 -175.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -125.19 -89.75 0.8 Allowed Glycine 0 CA--C 1.522 0.476 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.93 -172.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.544 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 5.9 pt-20 -91.41 133.82 35.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.557 0.694 . . . . 0.0 112.79 -169.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.633 ' OH ' ' HB2' ' A' ' 74' ' ' SER . 23.6 t80 -87.63 133.31 33.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.926 -1.033 . . . . 0.0 111.33 -174.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -94.26 -70.66 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.199 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -176.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -161.8 178.61 8.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.847 0.356 . . . . 0.0 111.672 -177.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.633 ' HB2' ' OH ' ' A' ' 71' ' ' TYR . 12.9 t -139.95 151.81 45.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.595 178.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -130.48 137.84 49.97 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -105.36 140.33 38.64 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.251 0.548 . . . . 0.0 111.276 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.46 ' HG3' HG13 ' A' ' 84' ' ' ILE . 19.3 ptt180 -155.86 175.12 14.36 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 176.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -119.05 151.64 37.88 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 119.639 -0.824 . . . . 0.0 111.692 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.578 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.7 p -123.34 95.03 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 170.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.5 p 46.2 70.84 0.34 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.872 -174.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.21 -23.08 5.56 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 121.176 -0.535 . . . . 0.0 114.21 176.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.434 ' HB2' HG13 ' A' ' 79' ' ' VAL . 85.5 mtt180 -92.36 130.81 37.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.356 -0.496 . . . . 0.0 110.574 -178.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.513 HD11 ' HB3' ' A' ' 6' ' ' MET . 1.9 mp -90.26 116.5 31.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.981 0.419 . . . . 0.0 110.384 -174.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.578 HD11 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -91.17 134.4 29.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.77 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.55 97.47 6.46 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.088 -0.96 . . . . 0.0 108.55 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.6 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 5.6 mp -89.59 117.72 28.69 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.783 -176.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.476 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . 90.7 m-70 -101.52 114.49 28.55 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.112 -178.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.32 113.56 25.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.957 0.408 . . . . 0.0 109.934 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.21 138.81 43.86 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.15 -178.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.544 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 15.1 t-160 -84.83 108.34 17.45 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.3 t -91.51 106.02 15.12 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.815 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.495 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 70.9 Cg_endo -89.73 -14.07 2.53 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 123.084 2.523 . . . . 0.0 113.216 -176.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.686 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 38.5 t70 -145.54 137.61 25.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.995 0.426 . . . . 0.0 111.566 -174.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.513 ' HB2' HD12 ' A' ' 64' ' ' ILE . 49.9 p90 -149.72 143.47 25.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.815 177.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -119.19 120.69 37.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.564 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 128.54 -163.25 22.07 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.027 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.6 m -118.5 115.27 24.26 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.793 HD12 HD23 ' A' ' 106' ' ' LEU . 0.2 OUTLIER -68.53 126.18 28.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.051 -175.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.513 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.2 pt20 -128.92 163.05 26.13 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.495 -176.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.486 ' HB2' HD12 ' A' ' 106' ' ' LEU . . . -106.61 100.22 9.75 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.098 177.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -80.03 -74.39 0.31 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.858 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.621 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 5.5 mm-40 -82.93 -2.64 55.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.553 0.692 . . . . 0.0 110.719 178.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -111.07 161.06 16.29 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.033 -0.985 . . . . 0.0 108.446 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -96.65 -52.06 4.07 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.183 -176.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.99 159.44 24.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.206 -177.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.793 HD23 HD12 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -135.96 125.15 24.57 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.125 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.9 p -134.55 147.22 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.026 0.441 . . . . 0.0 111.726 -176.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 2.1 m0 -102.92 113.32 26.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.986 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.532 ' SG ' HD11 ' A' ' 24' ' ' LEU . 26.0 p -132.95 153.64 51.23 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 175.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.568 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 7.0 m -71.87 163.62 65.21 Favored Pre-proline 0 C--N 1.317 -0.821 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.087 -174.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.568 ' HD2' ' HB3' ' A' ' 110' ' ' SER . 6.4 Cg_endo -48.16 -55.31 4.15 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.28 2.653 . . . . 0.0 113.966 -175.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -29.87 67.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.985 0.421 . . . . 0.0 110.298 -177.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.4 ' O ' ' HD1' ' A' ' 117' ' ' TYR . 5.4 mm-40 -65.71 -42.68 90.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.503 176.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.37 -44.28 97.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.693 -176.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -73.13 -16.21 61.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.958 0.409 . . . . 0.0 110.565 -176.587 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -88.77 2.74 52.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.098 0.475 . . . . 0.0 110.746 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.4 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 8.9 m-85 -98.34 161.29 25.81 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.554 172.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.11 87.53 0.6 Allowed 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 121.885 1.723 . . . . 0.0 112.115 176.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 67.6 mt -94.64 153.42 17.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.575 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.526 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -65.78 153.68 90.53 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.689 177.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.86 -21.33 32.73 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.539 2.826 . . . . 0.0 114.153 -175.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.42 ' HB1' HD23 ' A' ' 86' ' ' LEU . . . -91.47 -26.86 18.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.987 0.422 . . . . 0.0 110.968 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.526 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.9 m-20 -79.94 -27.08 39.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.795 -175.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.652 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 83.2 mt -61.4 -60.13 11.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.098 -177.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.432 ' HD3' ' HB ' ' A' ' 124' ' ' ILE . 27.2 Cg_endo -61.27 -27.34 83.25 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.442 2.095 . . . . 0.0 112.633 -176.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 94.4 mt -71.34 -42.22 68.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.253 0.549 . . . . 0.0 109.794 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.533 ' HB3' HD23 ' A' ' 115' ' ' LEU . 2.9 tm? -74.01 -35.9 64.44 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.563 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.8 ' HA ' ' HE2' ' A' ' 131' ' ' MET . 36.3 mt-10 -54.9 -39.0 68.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 177.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.403 ' O ' HD22 ' A' ' 133' ' ' LEU . . . -79.53 -29.05 41.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.889 177.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -67.99 -45.05 75.21 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.8 ' HE2' ' HA ' ' A' ' 128' ' ' GLU . 27.1 ptt? -67.06 -33.44 75.51 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.606 175.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.76 83.48 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.718 0.294 . . . . 0.0 111.2 173.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.403 HD22 ' O ' ' A' ' 129' ' ' ALA . 3.0 mm? -63.36 -46.24 87.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.993 0.425 . . . . 0.0 110.343 179.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -72.37 -22.17 61.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.109 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -84.43 -36.26 22.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.192 0.52 . . . . 0.0 110.704 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -85.69 -17.19 36.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.035 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 37.31 80.88 0.26 Allowed Pre-proline 0 N--CA 1.475 0.775 0 O-C-N 124.353 1.033 . . . . 0.0 112.105 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -71.11 113.65 3.66 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.809 2.339 . . . . 0.0 113.027 -174.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -91.72 89.87 7.29 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.435 173.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 14.7 t70 . . . . . 0 C--O 1.249 1.048 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.541 -174.683 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.935 -0.466 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -69.01 117.61 5.14 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.394 2.063 . . . . 0.0 112.291 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.9 mt -104.89 -1.48 25.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.133 0.492 . . . . 0.0 110.13 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.07 43.41 3.19 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.027 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 p -69.88 -46.6 65.13 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 21.7 ptp -78.2 144.84 35.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.503 175.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -108.07 133.77 51.9 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 175.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 88.5 mtp -99.23 130.74 45.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.285 0.564 . . . . 0.0 110.218 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.665 ' HB ' HG22 ' A' ' 84' ' ' ILE . 44.1 mt -105.37 110.95 32.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -95.13 122.87 38.25 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -173.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.431 ' HB ' ' HG ' ' A' ' 86' ' ' LEU . 82.5 t -122.48 135.29 63.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -177.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.448 ' CG2' ' HG ' ' A' ' 54' ' ' LEU . 3.4 m -105.85 131.56 55.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.056 175.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.0 128.74 55.94 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.975 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.469 ' HB2' HD23 ' A' ' 54' ' ' LEU . . . -102.28 108.38 19.72 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.256 -177.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.424 HG22 ' CG2' ' A' ' 22' ' ' ILE . 6.9 mt -93.41 98.87 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.905 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 177.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.851 HG12 HG21 ' A' ' 91' ' ' VAL . 18.3 mt -92.34 106.18 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -175.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . 30.8 tt0 -112.99 129.67 56.41 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.617 -174.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -133.73 120.34 20.45 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 69.38 13.14 8.44 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.727 0.642 . . . . 0.0 111.723 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.6 6.24 54.92 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.141 -1.028 . . . . 0.0 112.5 -178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 12.2 mttp -115.79 142.77 46.31 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 176.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.424 ' CG2' HG22 ' A' ' 15' ' ' ILE . 32.6 mt -102.94 148.08 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.432 -175.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.551 HD11 ' HG ' ' A' ' 106' ' ' LEU . 40.9 tp -87.3 119.28 27.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.159 0.504 . . . . 0.0 111.162 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.0 mp -112.25 139.46 47.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.815 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.42 117.99 29.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.084 0.468 . . . . 0.0 111.162 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.463 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 23.6 tt0 -75.88 103.58 6.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.595 -177.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.611 ' CB ' ' HA ' ' A' ' 103' ' ' HIS . 13.6 tpt180 167.83 122.29 0.04 OUTLIER Pre-proline 0 C--O 1.223 -0.321 0 O-C-N 124.168 0.917 . . . . 0.0 108.923 175.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -87.8 -153.35 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.509 2.139 . . . . 0.0 111.522 177.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.09 -58.85 0.65 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.758 0.313 . . . . 0.0 111.39 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -93.53 -25.77 17.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.976 0.417 . . . . 0.0 110.955 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -75.59 -42.63 51.42 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.565 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 58.85 27.06 15.61 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.538 -176.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -112.89 130.88 55.95 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.97 158.01 24.03 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.445 -174.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.41 -29.92 7.3 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.154 177.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.418 ' HA ' ' HG2' ' A' ' 118' ' ' PRO . 6.1 mp -82.73 151.19 26.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.905 0.383 . . . . 0.0 111.279 176.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.4 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 45.9 m95 -118.65 152.49 35.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.649 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -147.38 166.63 26.58 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -81.49 151.83 27.62 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.24 169.45 18.31 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.332 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 146.09 -142.05 10.2 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.865 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.461 ' HA3' ' HG3' ' A' ' 57' ' ' GLU . . . 170.63 175.9 39.63 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.095 -178.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -78.29 153.49 31.73 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.787 0.327 . . . . 0.0 110.572 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.51 109.53 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.813 ' HG3' ' HD2' ' A' ' 46' ' ' PRO . 2.8 tp10 -85.63 150.13 52.99 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.813 ' HD2' ' HG3' ' A' ' 45' ' ' GLU . 30.3 Cg_endo -64.0 11.54 0.1 Allowed 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 122.942 2.428 . . . . 0.0 114.198 -177.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 45' ' ' GLU . 5.9 m-20 -115.08 11.19 16.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.076 0.465 . . . . 0.0 110.58 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -145.6 171.07 15.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.936 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.1 t -105.5 163.57 12.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.832 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -58.71 -49.01 79.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.503 -176.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.471 ' O ' HG21 ' A' ' 55' ' ' VAL . 52.1 mtt180 -60.27 -39.68 87.71 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.422 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -68.95 -42.04 77.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.117 -176.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.96 -48.99 79.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.999 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.715 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 24.3 mt -59.62 -46.81 87.88 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 121.001 0.429 . . . . 0.0 110.698 178.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.471 HG21 ' O ' ' A' ' 51' ' ' ARG . 43.3 t -59.52 -49.75 82.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.409 -177.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.51 ' HG3' ' N ' ' A' ' 57' ' ' GLU . 8.0 ptt180 -68.58 -44.0 75.34 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.356 -176.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.51 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 5.7 mm-40 -63.16 -41.34 99.24 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.177 -0.209 . . . . 0.0 111.44 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 30.5 mt -69.83 -33.87 72.9 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 120.409 -0.516 . . . . 0.0 109.843 177.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.464 ' HD2' ' OE2' ' A' ' 65' ' ' GLU . 19.1 ttt180 -58.07 -37.35 74.29 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.447 174.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -88.43 -37.39 15.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.695 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 27.7 mm-40 -87.51 -50.47 6.51 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.676 0.251 . . . . 0.0 111.676 -178.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.649 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 39.5 mt -103.38 7.36 38.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.581 -171.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 47.22 37.11 10.68 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 115.191 0.837 . . . . 0.0 115.191 -177.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.444 HD13 ' HB2' ' A' ' 94' ' ' PHE . 35.5 pt -131.6 145.89 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 118.116 0.958 . . . . 0.0 112.122 178.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.558 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 20.2 mm-40 -90.72 104.07 16.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 172.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.663 ' HB3' ' HH2' ' A' ' 89' ' ' TRP . . . -86.15 149.37 25.17 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.07 0.462 . . . . 0.0 111.847 -174.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 89.1 m -107.05 104.29 13.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.363 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.614 ' HA ' ' CZ2' ' A' ' 89' ' ' TRP . 30.8 t -84.15 133.2 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.772 -0.195 . . . . 0.0 110.764 -175.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 174.11 63.93 0.05 OUTLIER Glycine 0 C--N 1.336 0.556 0 C-N-CA 119.738 -1.22 . . . . 0.0 114.729 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 162.62 105.48 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.777 0.831 . . . . 0.0 110.581 176.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.675 ' HE1' ' HB3' ' A' ' 87' ' ' HIS . 48.0 t80 -86.73 130.14 34.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.198 -176.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.481 HG11 HD23 ' A' ' 133' ' ' LEU . 87.8 t -95.79 -71.25 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.19 -178.99 7.49 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.562 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.638 ' HB3' ' HH ' ' A' ' 71' ' ' TYR . 9.6 p -144.09 153.78 42.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.814 0.34 . . . . 0.0 110.996 177.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.402 ' HD1' ' HA ' ' A' ' 122' ' ' ALA . 16.9 t-80 -137.66 137.49 38.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.681 178.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -101.64 144.28 30.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.23 0.538 . . . . 0.0 111.47 176.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.606 ' HG3' HG13 ' A' ' 84' ' ' ILE . 27.1 ptt180 -153.94 174.13 15.04 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 171.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -124.13 151.57 43.79 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 119.629 -0.828 . . . . 0.0 111.214 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.582 ' HB ' HD12 ' A' ' 84' ' ' ILE . 2.7 p -121.67 94.39 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 173.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.4 m 48.51 70.03 0.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.747 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.61 -23.38 8.84 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 120.838 -0.696 . . . . 0.0 114.712 176.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -98.3 135.97 39.15 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 117.944 0.872 . . . . 0.0 110.94 -177.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.2 mp -93.39 113.16 27.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.932 0.396 . . . . 0.0 110.492 -172.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.665 HG22 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -90.98 135.51 26.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.27 178.023 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -124.06 100.61 6.81 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.976 -175.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.431 ' HG ' ' HB ' ' A' ' 11' ' ' VAL . 7.3 mp -88.21 130.15 35.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.509 -177.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.675 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . 35.3 m80 -109.63 114.16 27.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.689 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.67 120.89 31.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.045 0.45 . . . . 0.0 111.051 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.663 ' HH2' ' HB3' ' A' ' 66' ' ' ALA . 3.3 t90 -119.4 132.62 55.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.52 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.457 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 39.5 t-80 -85.03 127.07 34.05 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 176.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.851 HG21 HG12 ' A' ' 16' ' ' ILE . 41.9 t -87.82 109.9 30.76 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 120.694 0.283 . . . . 0.0 110.549 -174.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.457 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 55.7 Cg_endo -73.75 -35.43 4.51 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.762 2.308 . . . . 0.0 112.032 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -152.71 144.01 23.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.156 -175.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.444 ' HB2' HD13 ' A' ' 64' ' ' ILE . 41.1 p90 -143.52 134.6 25.63 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.273 177.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.558 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 56.2 t-80 -93.04 120.67 33.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.604 177.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.35 -156.72 15.46 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.312 176.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 89.1 m -128.11 139.12 52.69 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.443 HD13 ' H ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -76.86 125.28 29.03 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.49 0.662 . . . . 0.0 110.516 -174.563 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.649 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 20.9 pt20 -124.43 164.56 19.45 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.274 -0.875 . . . . 0.0 108.901 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.476 ' HB1' HD13 ' A' ' 106' ' ' LEU . . . -113.23 107.51 16.0 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.36 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.528 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 34.3 t-80 -86.08 -78.89 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.659 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.695 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 19.6 mm-40 -75.46 -42.83 52.24 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.298 0.571 . . . . 0.0 110.464 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.611 ' HA ' ' CB ' ' A' ' 27' ' ' ARG . 59.3 m80 -74.34 152.71 39.54 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -94.23 -70.89 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -170.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -98.14 154.06 18.01 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 121.224 -0.191 . . . . 0.0 110.674 -176.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.551 ' HG ' HD11 ' A' ' 23' ' ' LEU . 1.1 tp -131.45 127.14 36.8 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -178.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.2 p -133.7 146.34 32.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.863 0.364 . . . . 0.0 111.48 -178.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.403 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 4.4 m-90 -105.29 119.36 38.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.774 170.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.461 ' HG ' ' HA ' ' A' ' 114' ' ' ALA . 26.0 p -137.94 156.19 48.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.807 0.336 . . . . 0.0 110.366 175.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.1 m -65.3 153.79 88.92 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.791 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.505 ' O ' HD13 ' A' ' 127' ' ' LEU . 1.6 Cg_endo -45.97 -52.93 6.36 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.372 2.715 . . . . 0.0 113.46 -176.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.33 -28.59 66.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.878 0.37 . . . . 0.0 110.928 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -71.78 -32.71 67.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.605 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.461 ' HA ' ' HG ' ' A' ' 109' ' ' CYS . . . -62.1 -42.36 99.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.226 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.613 HD11 HG22 ' A' ' 124' ' ' ILE . 0.2 OUTLIER -72.47 -15.36 61.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.022 -177.088 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -84.96 -5.41 59.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.034 0.445 . . . . 0.0 110.56 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -93.94 163.18 24.65 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.755 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.418 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 54.3 Cg_endo -72.06 77.69 1.93 Allowed 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.223 1.948 . . . . 0.0 112.188 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 72.3 mt -84.89 153.51 22.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.822 175.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.474 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -69.88 156.21 92.16 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.709 178.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 24.8 Cg_endo -61.32 -8.52 10.65 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.116 2.544 . . . . 0.0 113.327 -177.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.402 ' HA ' ' HD1' ' A' ' 75' ' ' HIS . . . -93.49 -33.36 13.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.871 0.367 . . . . 0.0 110.234 177.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.474 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 3.3 m-20 -81.9 -28.86 32.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.425 -173.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.613 HG22 HD11 ' A' ' 115' ' ' LEU . 93.7 mt -60.29 -57.27 27.89 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.681 -175.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 18.6 Cg_endo -61.39 -24.98 79.44 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.208 1.939 . . . . 0.0 112.719 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.1 mt -71.62 -41.11 69.27 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.074 0.464 . . . . 0.0 109.836 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.514 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.4 tm? -73.04 -39.53 65.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.072 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -53.92 -41.47 67.71 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.597 0.237 . . . . 0.0 111.076 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.453 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -81.43 -23.13 37.72 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.25 179.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.415 ' HE1' ' HB2' ' A' ' 90' ' ' HIS . 84.3 t80 -67.69 -48.6 66.12 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.0 ptm -71.83 -30.46 65.5 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.694 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.453 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -59.64 -40.97 89.38 Favored 'General case' 0 C--N 1.338 0.082 0 CA-C-O 120.838 0.351 . . . . 0.0 111.049 173.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.481 HD23 HG11 ' A' ' 72' ' ' VAL . 3.5 mp -64.64 -35.39 80.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -84.03 -23.41 30.93 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.569 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.14 -39.46 12.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.753 0.311 . . . . 0.0 111.175 -176.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -94.27 -33.92 13.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.071 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 65.21 105.73 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.253 0 O-C-N 123.799 0.687 . . . . 0.0 111.829 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.54 176.64 9.46 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.422 2.082 . . . . 0.0 111.168 173.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 70.68 -58.68 0.55 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.251 0.62 . . . . 0.0 111.329 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 26.9 t70 . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.886 -0.578 . . . . 0.0 109.976 178.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.431 ' HA2' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.765 -0.534 . . . . 0.0 111.765 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.431 ' HD3' ' HA2' ' A' ' 1' ' ' GLY . 12.5 Cg_exo -70.41 120.63 7.28 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.919 2.413 . . . . 0.0 112.773 -177.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.2 tp 61.55 -88.71 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.749 0.82 . . . . 0.0 112.034 178.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.93 -151.83 19.48 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 121.025 -0.607 . . . . 0.0 111.748 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 m -94.94 -21.62 18.51 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.327 0.584 . . . . 0.0 110.462 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -107.57 135.7 48.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.707 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -96.64 138.73 33.77 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 176.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.9 mtm -96.03 135.67 37.5 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.321 0.581 . . . . 0.0 110.484 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.491 ' HB ' HG21 ' A' ' 84' ' ' ILE . 28.4 mt -104.89 106.88 21.3 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 176.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -90.5 123.98 34.63 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -174.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.573 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 57.6 t -127.22 125.22 65.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.401 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 2.9 m -98.86 131.86 45.26 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 177.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.28 130.16 56.83 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.471 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.54 114.3 28.39 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.145 0.498 . . . . 0.0 109.944 -178.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.436 HG22 ' CG2' ' A' ' 22' ' ' ILE . 5.5 mt -92.23 98.3 8.21 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.275 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 176.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.453 HD11 HD21 ' A' ' 23' ' ' LEU . 44.9 mt -89.94 103.4 14.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.461 -0.79 . . . . 0.0 108.904 -177.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.504 ' HB3' ' HE2' ' A' ' 90' ' ' HIS . 3.7 tm-20 -118.07 126.69 52.77 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.959 -173.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -139.66 130.99 26.76 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.852 -1.067 . . . . 0.0 108.472 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 68.86 14.57 8.92 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.601 0.563 . . . . 0.0 112.015 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.65 8.72 63.57 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.309 -0.948 . . . . 0.0 111.725 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 mmtp -118.61 138.54 52.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.699 0.285 . . . . 0.0 110.255 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.476 ' O ' ' HA ' ' A' ' 108' ' ' TRP . 49.4 mt -104.11 149.61 7.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.322 -176.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.502 HD11 ' HB3' ' A' ' 106' ' ' LEU . 33.3 tp -87.06 115.66 24.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.084 0.469 . . . . 0.0 111.066 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.433 HD22 HD22 ' A' ' 119' ' ' LEU . 5.9 mp -111.06 135.4 51.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.367 176.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.23 122.45 43.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.698 0.285 . . . . 0.0 110.964 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -69.78 120.41 15.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.497 -177.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.691 ' HD2' ' H ' ' A' ' 29' ' ' ALA . 3.6 tmm_? -179.09 130.07 0.26 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.233 -0.894 . . . . 0.0 108.79 178.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.604 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 59.5 Cg_endo -84.18 -20.47 4.2 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.554 2.169 . . . . 0.0 113.249 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.691 ' H ' ' HD2' ' A' ' 27' ' ' ARG . . . 80.9 -74.94 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 113.887 -1.506 . . . . 0.0 111.89 176.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -116.04 6.55 14.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.928 0.394 . . . . 0.0 111.156 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.604 ' HB2' ' HB2' ' A' ' 28' ' ' PRO . 66.9 m -103.85 149.49 25.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.976 0.417 . . . . 0.0 111.292 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -79.06 -31.11 44.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.247 175.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.469 ' HG2' ' HB3' ' A' ' 31' ' ' SER . 18.0 pt20 -67.87 132.1 46.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.5 177.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.84 171.7 7.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.01 -177.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.61 -20.3 22.86 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.578 178.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.442 ' CD1' ' HB2' ' A' ' 118' ' ' PRO . 2.3 mm? -74.57 147.13 41.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.918 0.39 . . . . 0.0 111.293 -177.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.507 ' HD1' ' HG2' ' A' ' 118' ' ' PRO . 65.7 m95 -113.71 145.02 41.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.763 177.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -139.78 155.73 47.14 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.408 ' HE1' HG22 ' A' ' 22' ' ' ILE . 93.0 m-85 -73.74 138.1 44.4 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 175.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.13 154.13 42.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.895 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 161.74 -133.63 3.22 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.406 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.73 174.32 36.59 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.134 -1.031 . . . . 0.0 113.314 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.5 tttm -77.87 149.8 34.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.958 0.409 . . . . 0.0 110.548 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.0 t -101.81 141.36 18.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.465 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.596 ' HG3' ' HD2' ' A' ' 46' ' ' PRO . 4.2 tp10 -110.0 148.29 37.98 Favored Pre-proline 0 C--N 1.319 -0.73 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.596 ' HD2' ' HG3' ' A' ' 45' ' ' GLU . 30.7 Cg_endo -64.78 10.81 0.13 Allowed 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 122.607 2.205 . . . . 0.0 112.631 174.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.513 ' H ' ' C ' ' A' ' 45' ' ' GLU . 10.6 t70 -98.54 -18.65 18.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.553 0.692 . . . . 0.0 109.869 178.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -129.69 164.81 23.14 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.675 -173.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.7 m -88.56 157.21 18.68 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -67.9 -33.91 75.61 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.458 -174.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.401 ' O ' HG22 ' A' ' 55' ' ' VAL . 46.2 mtt180 -70.12 -38.01 75.46 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -65.03 -37.63 88.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.83 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.13 -46.45 90.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.575 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.653 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 23.7 mt -61.89 -46.72 88.16 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.49 177.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 51' ' ' ARG . 53.5 t -56.94 -49.86 77.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.046 -178.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.556 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.1 ppt_? -70.04 -43.69 70.77 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.414 -178.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.71 -46.59 89.03 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 38.9 mt -66.4 -33.58 76.04 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.325 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -64.48 -33.43 75.88 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.845 0.355 . . . . 0.0 111.055 175.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 22.8 mt-10 -87.02 -34.91 19.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.395 -178.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.617 ' CD ' ' HB2' ' A' ' 102' ' ' GLU . 2.2 mt-10 -87.31 -53.76 4.66 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 178.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.771 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 34.8 mt -101.25 6.03 42.75 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.255 -168.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.79 24.48 33.48 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 121.118 -0.563 . . . . 0.0 114.052 -176.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.554 HG12 ' HB2' ' A' ' 62' ' ' LEU . 46.5 pt -126.15 135.72 62.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 117.619 0.71 . . . . 0.0 111.537 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 32.4 mt-10 -94.16 98.5 11.01 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 176.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.89 157.09 27.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.495 -171.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.438 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 56.9 m -107.42 105.95 16.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.278 -0.873 . . . . 0.0 108.66 174.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.0 t -79.33 129.5 37.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -137.51 -85.74 0.16 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.509 -0.853 . . . . 0.0 113.378 -177.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.583 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 5.8 pt-20 -88.56 126.06 35.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.775 0.798 . . . . 0.0 113.129 -169.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.41 ' HD1' ' CE2' ' A' ' 89' ' ' TRP . 14.1 t80 -77.74 132.15 37.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.793 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.401 HG13 ' HD1' ' A' ' 130' ' ' PHE . 92.8 t -97.04 -70.86 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.6 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -161.68 -177.15 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.837 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.9 m -149.18 156.16 41.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.737 0.303 . . . . 0.0 111.048 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.4 ' HD1' ' HA ' ' A' ' 122' ' ' ALA . 18.5 t-80 -141.0 145.1 35.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.498 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -109.8 142.37 41.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.259 175.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.652 ' HG3' HG13 ' A' ' 84' ' ' ILE . 27.4 ptt180 -151.8 173.77 14.36 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 172.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -124.63 151.71 44.53 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 119.3 -0.96 . . . . 0.0 112.147 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.523 ' HB ' HD11 ' A' ' 84' ' ' ILE . 3.2 p -124.19 94.76 2.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 114.812 -1.086 . . . . 0.0 108.63 172.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.0 m 51.87 66.64 1.14 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.848 -177.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.84 -20.54 6.35 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 120.724 -0.75 . . . . 0.0 114.246 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.459 ' HB2' HG12 ' A' ' 79' ' ' VAL . 90.5 mtt180 -92.36 132.32 36.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.458 0.629 . . . . 0.0 109.986 -178.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mp -92.57 113.94 28.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.704 0.288 . . . . 0.0 110.471 -174.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.652 HG13 ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -89.7 129.92 39.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.361 0.601 . . . . 0.0 109.951 177.458 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -119.12 99.5 6.76 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.81 -173.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.573 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.1 mp -91.38 127.78 36.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.61 -176.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -112.01 116.33 30.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.668 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.31 116.43 28.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.066 0.46 . . . . 0.0 111.246 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.41 ' CE2' ' HD1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -108.11 142.27 38.57 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.054 176.007 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.583 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 10.5 t-160 -91.69 120.69 32.67 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.3 t -90.25 112.42 52.55 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.277 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.438 ' HD2' ' O ' ' A' ' 67' ' ' THR . 61.4 Cg_endo -75.93 -30.73 5.64 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.906 2.404 . . . . 0.0 112.697 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -158.57 152.27 23.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.053 -176.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.444 ' HB2' ' HB ' ' A' ' 64' ' ' ILE . 34.6 p90 -140.39 139.41 35.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.332 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.533 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 18.9 t60 -91.1 119.69 31.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.302 175.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.99 -164.54 12.23 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.624 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.6 m -122.55 126.24 47.36 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.58 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -76.2 124.06 26.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.986 0.898 . . . . 0.0 111.979 -171.417 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.771 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 10.4 pt20 -135.57 167.43 21.11 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.469 -1.241 . . . . 0.0 109.327 -177.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -105.64 126.43 52.14 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.07 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.555 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 68.7 t60 -113.93 -62.67 1.56 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.49 177.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.617 ' HB2' ' CD ' ' A' ' 61' ' ' GLU . 14.3 mm-40 -81.99 -33.08 30.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.267 0.556 . . . . 0.0 109.724 177.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -87.63 171.84 10.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.455 173.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.44 HE21 ' HB2' ' A' ' 104' ' ' GLN . 6.8 tt0 -96.48 -67.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -174.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -124.26 162.67 23.23 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.253 -0.179 . . . . 0.0 110.922 -177.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.502 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.8 mm? -120.08 138.53 53.49 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.1 p -131.42 135.43 59.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 171.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.476 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 1.4 p90 -107.41 115.06 29.49 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.505 0.669 . . . . 0.0 110.194 176.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.427 ' SG ' HD11 ' A' ' 24' ' ' LEU . 12.0 p -145.04 156.72 44.09 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.884 -175.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 p -72.22 160.59 82.33 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -175.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.516 ' O ' HD12 ' A' ' 127' ' ' LEU . 7.1 Cg_endo -50.15 -41.29 50.0 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 123.006 2.47 . . . . 0.0 113.239 -178.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.07 -37.76 88.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.359 . . . . 0.0 110.826 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.437 ' O ' ' HD1' ' A' ' 117' ' ' TYR . 14.0 mm-40 -72.34 -41.59 66.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.75 178.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.22 -37.75 75.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.755 -173.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.519 HD23 HD11 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -75.81 -9.91 58.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.695 0.283 . . . . 0.0 111.438 -177.143 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -95.85 1.43 53.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.141 0.496 . . . . 0.0 110.419 174.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.437 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 25.6 m-85 -91.66 158.21 40.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.269 173.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.507 ' HG2' ' HD1' ' A' ' 37' ' ' TRP . 42.0 Cg_endo -69.14 75.32 0.96 Allowed 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.254 1.969 . . . . 0.0 112.229 176.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.433 HD22 HD22 ' A' ' 24' ' ' LEU . 65.2 mt -81.06 152.59 27.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.089 176.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.519 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -69.95 158.91 86.11 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.52 177.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.475 ' HD2' ' HB2' ' A' ' 120' ' ' ALA . 14.1 Cg_endo -57.19 -15.4 18.17 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.181 2.587 . . . . 0.0 113.278 -178.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.489 ' HB1' ' HD3' ' A' ' 77' ' ' ARG . . . -93.05 -28.63 16.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.82 0.343 . . . . 0.0 110.807 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.519 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 2.2 m-20 -82.2 -28.33 32.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.292 -174.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.441 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 79.6 mt -60.41 -58.42 19.49 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.976 -176.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.441 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 20.2 Cg_endo -60.67 -27.91 85.64 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.557 2.171 . . . . 0.0 112.801 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 90.0 mt -70.79 -43.89 67.75 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.19 0.519 . . . . 0.0 109.869 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.536 HD13 ' O ' ' A' ' 127' ' ' LEU . 2.8 tm? -73.55 -36.38 65.62 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.843 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -55.24 -41.8 72.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 0.0 110.833 176.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.75 -26.56 49.96 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.472 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.401 ' HD1' HG13 ' A' ' 72' ' ' VAL . 54.2 t80 -67.64 -44.57 77.62 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 15.6 ptp -67.15 -38.25 85.18 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -55.17 -43.73 74.58 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.145 0.498 . . . . 0.0 111.159 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.44 ' O ' ' HA ' ' A' ' 137' ' ' ARG . 2.8 mp -63.91 -33.48 75.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.644 -177.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 134' ' ' ARG . 29.4 mtp180 -93.06 -20.86 20.13 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -176.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -95.44 -40.48 9.46 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.384 -178.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -93.32 -38.2 11.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.295 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 133' ' ' LEU . 46.2 ttp180 65.17 104.99 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.257 0 O-C-N 123.92 0.763 . . . . 0.0 111.474 179.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -74.81 160.63 40.47 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.252 1.968 . . . . 0.0 111.789 177.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 67.67 28.7 7.26 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.731 0.644 . . . . 0.0 110.668 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.153 179.885 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.416 ' HA3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.416 ' HD3' ' HA3' ' A' ' 1' ' ' GLY . 7.9 Cg_exo -72.09 100.34 1.09 Allowed 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.554 2.17 . . . . 0.0 111.605 175.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.3 tp -83.96 100.44 11.04 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.84 156.85 10.23 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -175.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 p -71.01 -31.41 67.91 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.863 0.332 . . . . 0.0 111.57 -175.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.496 ' HB2' HD13 ' A' ' 83' ' ' ILE . 25.7 ptt? -145.91 133.25 20.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.233 0.539 . . . . 0.0 112.142 -173.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -104.91 151.2 24.16 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 168.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.1 mtp -102.97 138.2 40.16 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.797 0.808 . . . . 0.0 112.123 -175.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' A' ' 84' ' ' ILE . 35.2 mt -112.99 112.81 42.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 114.297 -1.32 . . . . 0.0 108.434 176.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -98.18 122.21 41.05 Favored 'General case' 0 C--N 1.31 -1.135 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.934 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.653 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 93.1 t -124.09 121.64 62.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -175.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.43 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -99.13 133.58 41.31 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.307 -179.497 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.59 126.31 54.05 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.443 ' HB1' HD23 ' A' ' 54' ' ' LEU . . . -102.99 119.17 38.37 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.204 0.526 . . . . 0.0 110.158 -177.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.415 HG21 HG23 ' A' ' 22' ' ' ILE . 5.6 mt -89.55 101.82 12.49 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.628 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 3.1 mm -83.32 107.43 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -177.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 18.0 tt0 -113.26 112.09 23.15 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.369 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' HG3' ' OD1' ' A' ' 19' ' ' ASP . 5.2 tpm_? -126.6 118.69 25.34 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.407 ' OD1' ' HG3' ' A' ' 18' ' ' ARG . 4.4 m-20 69.77 20.96 6.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.914 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.26 3.52 69.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.341 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 8.2 mttp -114.59 144.22 43.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.746 0.308 . . . . 0.0 110.857 -179.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.628 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 19.8 mt -103.55 145.11 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.537 -174.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.906 ' HG ' HD22 ' A' ' 106' ' ' LEU . 18.5 tp -86.03 110.11 19.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.977 -177.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.611 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 29.2 mt -103.83 135.32 45.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.943 175.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.604 ' HA ' ' O ' ' A' ' 105' ' ' ALA . . . -116.32 128.7 55.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.68 0.276 . . . . 0.0 111.592 -178.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -69.36 99.01 1.14 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.117 176.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -177.48 102.53 0.22 Allowed Pre-proline 0 C--O 1.22 -0.453 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.067 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.736 ' HG3' HD22 ' A' ' 36' ' ' LEU . 18.9 Cg_endo -100.2 -153.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.294 0 C-N-CA 122.204 1.936 . . . . 0.0 111.358 172.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -169.19 -48.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.53 0.681 . . . . 0.0 111.176 -176.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -102.61 15.3 29.65 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.857 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -106.56 -175.22 2.73 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.643 -174.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -74.94 -5.89 46.25 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.096 0.474 . . . . 0.0 110.294 173.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.473 ' HA ' ' CG ' ' A' ' 28' ' ' PRO . 10.1 mm100 73.04 162.35 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.556 -1.202 . . . . 0.0 112.195 170.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.79 101.96 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.511 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.77 -23.3 11.97 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.324 -0.941 . . . . 0.0 113.486 174.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.736 HD22 ' HG3' ' A' ' 28' ' ' PRO . 1.5 mm? -75.49 146.4 40.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 117.584 0.692 . . . . 0.0 110.709 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.611 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 30.6 m95 -118.51 154.06 33.15 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -138.69 172.24 13.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.534 -176.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.439 ' HE1' HG23 ' A' ' 22' ' ' ILE . 97.7 m-85 -90.35 119.08 30.35 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 168.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.71 148.74 23.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.657 -176.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.06 -129.94 1.97 Allowed Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.484 ' HA3' ' OE2' ' A' ' 57' ' ' GLU . . . 160.21 -149.64 19.2 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.637 178.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -113.09 149.82 32.95 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.95 0.405 . . . . 0.0 110.436 -174.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.6 t -95.47 117.81 40.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.972 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.581 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 22.7 mm-40 -79.87 146.55 64.33 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 175.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.21 -5.97 10.61 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.433 2.089 . . . . 0.0 112.114 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -93.34 -16.56 24.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.361 0.6 . . . . 0.0 110.579 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.581 ' HG2' ' HB2' ' A' ' 45' ' ' GLU . 23.4 pt-20 -127.31 160.18 32.15 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.467 -172.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 m -81.56 165.4 21.17 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.908 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -63.34 -43.65 97.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.657 0.265 . . . . 0.0 111.176 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.463 ' O ' HG22 ' A' ' 55' ' ' VAL . 54.1 mtm180 -70.04 -34.01 72.69 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -66.56 -41.65 88.29 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -57.77 -51.06 71.12 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.208 177.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.701 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 20.3 mt -58.26 -46.98 85.01 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 111.176 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 51' ' ' ARG . 54.8 t -58.31 -44.02 87.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.122 -177.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.602 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 8.3 ppt_? -78.0 -40.12 40.09 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.149 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.484 ' OE2' ' HA3' ' A' ' 42' ' ' GLY . 6.5 mm-40 -57.02 -45.6 82.99 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.956 0.408 . . . . 0.0 110.852 176.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 37.9 mt -70.4 -30.71 67.67 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.252 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 59' ' ' ARG . 23.1 ttt180 -62.71 -38.21 89.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.029 0.442 . . . . 0.0 110.512 173.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 26.6 mt-10 -80.49 -43.55 20.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.557 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 5.7 mm-40 -92.12 -33.03 14.92 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -174.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.67 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 64.1 mt -114.26 4.34 15.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -174.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.41 27.92 26.7 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 114.542 0.577 . . . . 0.0 114.542 -175.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.449 HG23 ' HA ' ' A' ' 98' ' ' LEU . 46.3 pt -129.64 141.75 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-N 117.984 0.892 . . . . 0.0 111.088 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 33.7 mt-10 -93.26 96.93 10.29 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 171.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.402 ' O ' HG21 ' A' ' 55' ' ' VAL . . . -78.19 158.35 29.05 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.146 0.498 . . . . 0.0 111.373 -174.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.63 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 26.4 m -111.38 105.96 14.75 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.33 129.48 45.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -175.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.21 62.19 0.12 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 119.704 -1.236 . . . . 0.0 113.481 -176.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.582 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 12.9 pt-20 165.39 147.24 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.297 0.639 . . . . 0.0 110.299 -177.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -104.51 124.57 49.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.249 -171.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.403 HG13 ' HA ' ' A' ' 130' ' ' PHE . 91.9 t -94.5 -70.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.479 -0.489 . . . . 0.0 111.0 171.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.468 ' HB2' ' HB1' ' A' ' 129' ' ' ALA . . . -163.34 173.5 13.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.182 178.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.8 m -136.12 148.76 48.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.127 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -139.7 133.5 30.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.008 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.486 ' HG2' ' HA ' ' A' ' 85' ' ' HIS . 24.3 mt-30 -115.27 144.51 43.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.382 0.61 . . . . 0.0 111.763 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -157.11 175.19 14.4 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -118.73 152.71 35.64 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.439 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.598 ' HB ' HD12 ' A' ' 84' ' ' ILE . 2.6 p -120.95 93.7 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 170.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.5 m 46.46 65.61 1.16 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.258 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.13 -23.19 22.31 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.972 -0.633 . . . . 0.0 113.935 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.532 ' HB2' HG11 ' A' ' 79' ' ' VAL . 48.5 mtt180 -93.64 130.06 39.7 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.194 -0.592 . . . . 0.0 110.251 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.496 HD13 ' HB2' ' A' ' 6' ' ' MET . 1.7 mp -90.06 115.78 30.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.087 0.47 . . . . 0.0 110.378 -176.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.598 HD12 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -92.19 130.59 41.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.81 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.486 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 12.4 t-80 -114.32 101.29 9.03 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.421 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.653 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.1 mp -93.29 119.29 32.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.858 0.361 . . . . 0.0 110.409 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -111.63 115.29 28.9 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.58 113.19 24.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -106.38 149.94 26.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.413 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.582 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 16.2 t-80 -103.03 134.47 46.42 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 176.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.524 HG22 HD11 ' A' ' 16' ' ' ILE . 16.3 m -99.76 103.43 21.76 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-O 121.219 0.533 . . . . 0.0 111.088 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.63 ' HD2' ' O ' ' A' ' 67' ' ' THR . 20.6 Cg_endo -62.29 -21.92 73.35 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 123.223 2.615 . . . . 0.0 113.039 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -158.74 172.49 18.16 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 111.147 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.59 166.12 33.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.37 178.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.572 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 17.1 t60 -126.42 119.36 27.06 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.12 -157.48 14.93 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.737 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.7 m -126.14 131.13 52.12 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.492 ' H ' ' HG ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -76.11 118.18 18.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.605 0.716 . . . . 0.0 111.456 -171.863 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.67 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 3.2 pt20 -125.68 166.3 17.02 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.613 -1.176 . . . . 0.0 108.993 -179.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.806 ' HB2' ' O ' ' A' ' 103' ' ' HIS . . . -109.52 116.1 31.15 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.204 -176.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.557 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 20.6 t-80 -91.33 -82.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.648 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.428 ' HG3' ' ND1' ' A' ' 101' ' ' HIS . 27.9 mt-10 -97.54 9.21 43.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.465 0.65 . . . . 0.0 111.54 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.806 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 22.7 m-70 -120.83 105.6 10.87 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 175.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -58.67 -38.69 78.74 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -155.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.604 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -133.9 156.75 47.55 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.627 -175.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.906 HD22 ' HG ' ' A' ' 23' ' ' LEU . 68.5 mt -134.12 128.45 34.15 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.3 p -124.46 141.24 45.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 20.2 m-90 -99.0 110.09 22.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.092 0.472 . . . . 0.0 109.745 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.455 ' HB2' ' HB2' ' A' ' 113' ' ' GLU . 7.5 p -133.46 148.0 51.72 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.93 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.488 ' HB2' ' HD2' ' A' ' 111' ' ' PRO . 12.6 p -74.52 163.31 69.14 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -177.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.488 ' HD2' ' HB2' ' A' ' 110' ' ' SER . 3.1 Cg_endo -46.75 -43.37 23.59 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.973 2.449 . . . . 0.0 112.746 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.01 -40.61 82.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.174 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 109' ' ' CYS . 30.4 mm-40 -70.69 -37.98 73.65 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.67 0.271 . . . . 0.0 110.877 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.87 85.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.9 -176.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.478 HD22 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -71.67 -15.98 62.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.593 -176.17 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -82.98 -11.32 58.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.005 0.431 . . . . 0.0 110.706 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -86.89 164.19 37.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.024 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.497 ' HB2' HD11 ' A' ' 36' ' ' LEU . 58.9 Cg_endo -72.53 73.26 2.86 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.349 2.033 . . . . 0.0 112.321 178.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 72.4 mt -81.4 152.84 27.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.284 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.51 ' HB1' ' OD1' ' A' ' 123' ' ' ASP . . . -65.71 150.2 96.51 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 174.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.69 -12.73 22.7 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.784 2.323 . . . . 0.0 113.302 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -87.24 -25.52 23.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.888 0.375 . . . . 0.0 110.311 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.51 ' OD1' ' HB1' ' A' ' 120' ' ' ALA . 1.4 m-20 -85.38 -24.1 27.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.027 -174.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.542 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 45.9 mm -60.8 -58.13 21.48 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.116 -176.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 12.1 Cg_endo -57.66 -26.16 71.37 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 122.478 2.118 . . . . 0.0 112.632 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.6 mt -73.79 -39.42 64.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.334 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 127' ' ' LEU . 3.2 tm? -76.82 -38.11 54.49 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 38.0 mt-10 -51.29 -42.42 61.12 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 176.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' A' ' 73' ' ' ALA . . . -82.66 -19.76 37.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.566 -178.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.403 ' HA ' HG13 ' A' ' 72' ' ' VAL . 90.3 t80 -70.16 -48.65 56.43 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.3 ptm -69.31 -33.02 72.52 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.424 177.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.46 ' HB1' ' HA ' ' A' ' 129' ' ' ALA . . . -61.3 -44.66 96.85 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.835 0.35 . . . . 0.0 111.144 174.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 mp -66.18 -33.93 76.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.982 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -83.08 -23.68 33.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.488 -178.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.51 -35.86 14.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.879 0.371 . . . . 0.0 111.059 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -94.01 -23.02 18.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.294 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.451 ' HA ' ' HD2' ' A' ' 138' ' ' PRO . 3.2 ptp180 43.96 105.29 0.02 OUTLIER Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 124.486 1.115 . . . . 0.0 113.127 -176.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 137' ' ' ARG . 23.5 Cg_endo -56.97 129.71 35.94 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.121 2.547 . . . . 0.0 112.546 -175.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -80.5 109.76 15.32 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.713 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 31.7 t70 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.549 -0.739 . . . . 0.0 109.986 -179.754 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -80.78 -9.61 13.19 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.755 2.304 . . . . 0.0 112.412 -176.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.3 tp -120.9 22.78 10.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.51 0.672 . . . . 0.0 109.46 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.16 46.73 3.57 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.347 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m -106.15 118.27 36.2 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.24 128.61 36.48 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 177.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -85.48 147.51 26.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.349 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.3 mtp -101.7 127.42 48.46 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.276 0.56 . . . . 0.0 110.035 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.623 ' HB ' HG22 ' A' ' 84' ' ' ILE . 55.1 mt -108.63 116.26 51.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.09 -176.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -94.04 122.3 36.41 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.544 ' HB ' ' HG ' ' A' ' 86' ' ' LEU . 97.1 t -124.36 136.83 59.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.407 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 2.7 m -110.59 134.99 51.05 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-O 120.951 0.405 . . . . 0.0 110.156 176.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.63 133.43 55.86 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.471 ' HB1' HD23 ' A' ' 54' ' ' LEU . . . -102.5 118.39 36.76 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.052 0.453 . . . . 0.0 110.663 -177.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.423 HG21 HG21 ' A' ' 22' ' ' ILE . 4.6 mt -95.85 99.99 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.161 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 176.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.539 HG12 HG21 ' A' ' 91' ' ' VAL . 30.3 mt -88.47 102.04 12.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.092 -176.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.488 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 19.0 tt0 -106.66 111.8 24.5 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -176.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.401 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 3.2 tpt180 -119.75 113.66 20.96 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.303 178.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 61.65 31.52 18.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.751 -178.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.14 9.35 67.58 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.156 -1.021 . . . . 0.0 112.874 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 9.6 mttp -121.3 141.08 51.26 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.623 -0.34 . . . . 0.0 110.149 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.482 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 21.6 mt -102.98 147.88 8.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -176.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.494 HD22 HD12 ' A' ' 16' ' ' ILE . 40.7 tp -90.19 121.59 32.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.27 0.557 . . . . 0.0 111.062 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.534 ' HG ' ' HE1' ' A' ' 39' ' ' PHE . 7.2 mp -112.13 136.69 51.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.085 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.83 115.46 25.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.992 0.425 . . . . 0.0 110.521 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.452 ' HA ' ' HA ' ' A' ' 37' ' ' TRP . 35.7 tt0 -71.42 117.84 13.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.018 -175.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.46 ' HB2' ' HA ' ' A' ' 103' ' ' HIS . 13.8 tpp180 -176.07 108.8 0.25 Allowed Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.593 173.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.867 ' HG3' ' HA ' ' A' ' 34' ' ' ALA . 73.5 Cg_endo -77.09 -29.49 5.08 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.545 2.163 . . . . 0.0 112.04 176.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 71.44 -69.41 0.19 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.433 -1.258 . . . . 0.0 112.062 176.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -90.74 6.35 44.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.795 0.331 . . . . 0.0 111.437 -175.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.533 ' HB2' ' HB2' ' A' ' 28' ' ' PRO . 21.2 m -125.41 132.8 52.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -85.9 5.79 31.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.179 0.514 . . . . 0.0 110.907 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -78.5 -26.27 45.88 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.749 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.867 ' HA ' ' HG3' ' A' ' 28' ' ' PRO . . . 58.51 -168.27 0.14 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.834 -175.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.46 -28.72 5.63 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.883 -0.675 . . . . 0.0 113.971 174.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.49 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 5.8 mp -75.48 146.48 40.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.021 0.438 . . . . 0.0 111.476 -177.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.452 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 59.5 m95 -112.74 151.31 30.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.962 -178.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -140.17 150.21 43.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.105 173.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.534 ' HE1' ' HG ' ' A' ' 24' ' ' LEU . 10.1 m-30 -77.83 129.85 35.94 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 172.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.55 158.54 29.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.212 0.529 . . . . 0.0 111.868 -172.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.98 -141.84 7.26 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -177.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.25 174.82 38.05 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.701 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -78.88 151.85 31.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.9 0.381 . . . . 0.0 110.235 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.1 t -98.66 131.72 45.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.553 ' HG3' ' HD2' ' A' ' 46' ' ' PRO . 3.4 tp10 -93.64 143.14 26.09 Favored Pre-proline 0 C--N 1.316 -0.856 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 173.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.553 ' HD2' ' HG3' ' A' ' 45' ' ' GLU . 37.5 Cg_endo -66.18 14.67 0.11 Allowed 'Trans proline' 0 N--CA 1.478 0.605 0 C-N-CA 123.013 2.475 . . . . 0.0 113.513 -177.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.466 ' H ' ' C ' ' A' ' 45' ' ' GLU . 15.8 t70 -109.92 -15.76 14.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.357 0.598 . . . . 0.0 110.881 176.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 18.0 pt-20 -118.7 171.65 8.05 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.996 -174.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.9 t -90.26 156.89 17.97 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -65.73 -43.26 89.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.154 -175.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.45 ' HB3' ' HB ' ' A' ' 68' ' ' VAL . 42.9 mtm180 -72.34 -27.68 62.57 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.444 177.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -69.13 -38.2 78.72 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.37 -42.89 99.44 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.445 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.642 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 31.6 mt -62.69 -46.86 86.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.038 0.447 . . . . 0.0 110.815 176.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.1 t -58.96 -43.25 88.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.431 -177.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 57' ' ' GLU . 14.7 ptt85 -73.33 -44.8 58.2 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.958 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 4.9 mm-40 -61.26 -43.07 99.48 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -177.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.642 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 55.4 mt -68.21 -32.45 72.67 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.583 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -65.82 -35.46 80.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.233 0.539 . . . . 0.0 110.939 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -86.75 -34.15 19.72 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.119 -176.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.627 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 67.8 mm-40 -88.22 -52.01 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.573 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 49.9 mt -102.17 5.77 40.43 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -171.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 55.76 22.29 32.81 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 114.591 0.596 . . . . 0.0 114.591 -176.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.496 HG21 HD23 ' A' ' 98' ' ' LEU . 38.2 pt -122.93 142.12 40.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 117.91 0.855 . . . . 0.0 112.245 -177.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.402 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 29.4 mt-10 -89.68 103.3 15.96 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.623 174.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.86 153.35 18.3 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.073 0.463 . . . . 0.0 111.685 -174.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.596 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 30.3 m -114.73 104.39 11.92 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.03 174.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.565 ' HA ' HG12 ' A' ' 91' ' ' VAL . 12.0 t -85.14 126.81 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.439 -174.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -128.43 -84.96 0.45 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.096 -1.049 . . . . 0.0 113.715 -173.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.592 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 7.9 pt-20 -84.07 130.39 34.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.578 0.704 . . . . 0.0 112.061 -169.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -79.15 131.74 36.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.368 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.414 HG12 HD22 ' A' ' 133' ' ' LEU . 92.7 t -97.56 -70.45 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 120.677 0.275 . . . . 0.0 111.292 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -162.19 178.41 8.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.536 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.7 t -144.44 152.39 40.57 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -135.46 139.27 43.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.755 0.312 . . . . 0.0 110.603 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -101.16 140.36 35.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.387 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.504 ' HG3' HG13 ' A' ' 84' ' ' ILE . 5.5 ptm180 -158.41 175.48 13.65 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 174.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 6.9 pt-20 -118.73 150.41 39.82 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.062 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.623 ' HB ' HD11 ' A' ' 84' ' ' ILE . 3.2 p -120.51 94.43 3.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.432 -0.804 . . . . 0.0 108.847 170.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m 49.19 60.75 3.53 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.928 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.91 -12.28 67.94 Favored Glycine 0 CA--C 1.522 0.496 0 C-N-CA 120.653 -0.784 . . . . 0.0 114.296 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.513 ' HB2' HG11 ' A' ' 79' ' ' VAL . 83.9 mtt180 -102.95 134.28 46.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.69 0.745 . . . . 0.0 110.312 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mp -93.37 110.41 23.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.079 0.466 . . . . 0.0 110.815 -174.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.623 HG22 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -94.22 141.55 14.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.462 0.649 . . . . 0.0 111.712 -179.673 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -123.72 98.59 5.89 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.178 176.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.544 ' HG ' ' HB ' ' A' ' 11' ' ' VAL . 6.7 mp -90.09 127.67 36.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.043 -175.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -108.11 116.22 31.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.989 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.08 113.58 25.57 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.968 0.413 . . . . 0.0 110.342 177.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.75 138.66 49.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.784 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.592 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 6.6 t60 -88.4 115.76 26.14 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.565 HG12 ' HA ' ' A' ' 68' ' ' VAL . 16.2 m -94.16 108.5 36.18 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 121.082 0.467 . . . . 0.0 110.24 176.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.596 ' HD2' ' O ' ' A' ' 67' ' ' THR . 72.2 Cg_endo -77.65 -13.33 16.37 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.733 2.289 . . . . 0.0 112.681 -178.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.587 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 10.1 t70 -139.79 140.16 36.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.152 0.501 . . . . 0.0 111.058 -176.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -150.1 134.63 17.42 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.28 176.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 43.1 t-80 -114.49 119.35 36.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.274 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.62 -169.11 23.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.435 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 26.6 m -116.98 124.07 48.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.962 0.41 . . . . 0.0 110.419 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.496 HD23 HG21 ' A' ' 64' ' ' ILE . 4.0 mt -57.19 123.98 17.19 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.452 -177.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.573 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.9 pt20 -140.79 156.21 46.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.347 177.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.45 ' HB1' HD11 ' A' ' 106' ' ' LEU . . . -107.06 101.46 10.88 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -77.92 -72.36 0.37 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.125 0.488 . . . . 0.0 110.582 173.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.627 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 1.8 mm-40 -85.29 11.14 10.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.294 0.569 . . . . 0.0 111.283 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.46 ' HA ' ' HB2' ' A' ' 27' ' ' ARG . 73.8 m80 -129.78 172.67 11.41 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.087 -174.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -99.88 -75.78 0.56 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.864 0.364 . . . . 0.0 111.191 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.2 158.22 23.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.62 -177.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.474 HD23 HD21 ' A' ' 62' ' ' LEU . 9.1 mp -123.7 137.76 54.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.085 178.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.9 p -135.0 147.28 29.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.079 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.415 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 36.0 p90 -113.51 116.56 29.76 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.429 175.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 26.2 p -139.73 156.98 46.49 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.487 -176.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.524 ' OG ' ' HD2' ' A' ' 111' ' ' PRO . 8.5 t -67.51 150.68 97.73 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -177.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.553 ' O ' HD11 ' A' ' 127' ' ' LEU . 1.3 Cg_endo -46.67 -48.87 13.08 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.664 2.909 . . . . 0.0 114.208 -175.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.77 -30.39 67.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.738 0.304 . . . . 0.0 110.278 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.444 ' HA ' ' NE2' ' A' ' 116' ' ' GLN . 16.9 mm-40 -67.25 -39.67 86.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.021 176.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.56 88.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.583 -179.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.499 HD22 HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -71.99 -12.11 61.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.046 0.451 . . . . 0.0 110.68 -176.192 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.444 ' NE2' ' HA ' ' A' ' 113' ' ' GLU . 57.0 mt-30 -82.76 -14.96 53.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.347 175.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.451 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 40.1 m-85 -89.28 165.21 27.21 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.503 -177.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.49 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 43.5 Cg_endo -72.2 85.92 1.0 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 122.144 1.896 . . . . 0.0 111.554 177.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 72.0 mt -96.58 153.68 17.71 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.492 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.37 151.66 90.62 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.909 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.09 -17.52 38.76 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.123 2.549 . . . . 0.0 113.205 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.462 ' HB3' ' HD2' ' A' ' 77' ' ' ARG . . . -95.67 -19.34 19.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.68 0.276 . . . . 0.0 110.796 177.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -84.5 -30.88 24.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.868 -175.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.522 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 76.8 mt -63.29 -57.36 20.83 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.613 -176.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 12.3 Cg_endo -55.83 -30.86 78.64 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.56 2.174 . . . . 0.0 112.629 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 99.3 mt -72.25 -41.52 66.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.108 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.553 HD11 ' O ' ' A' ' 111' ' ' PRO . 3.1 tm? -71.42 -39.4 71.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.154 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 27.2 mt-10 -53.98 -40.99 67.4 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-O 120.65 0.262 . . . . 0.0 111.013 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.23 -23.64 40.73 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.661 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.601 ' CE2' ' HD2' ' A' ' 134' ' ' ARG . 85.0 t80 -70.84 -46.44 62.71 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.4 ptm -65.52 -33.48 76.02 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.589 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.55 92.81 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.738 0.304 . . . . 0.0 111.091 173.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.414 HD22 HG12 ' A' ' 72' ' ' VAL . 3.3 mp -66.26 -40.47 90.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.43 -176.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.601 ' HD2' ' CE2' ' A' ' 130' ' ' PHE . 18.4 mtp-105 -75.22 -25.69 58.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.545 0.212 . . . . 0.0 111.341 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -87.22 -36.17 18.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.754 0.311 . . . . 0.0 111.266 -176.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -94.43 -31.73 13.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.903 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 70.96 117.87 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.284 0 O-C-N 124.104 0.878 . . . . 0.0 111.25 -177.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.09 154.55 52.42 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.68 2.253 . . . . 0.0 112.15 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.54 -36.52 84.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.069 0.462 . . . . 0.0 110.739 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.431 -0.795 . . . . 0.0 109.842 177.171 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.904 0 N-CA-C 111.746 -0.541 . . . . 0.0 111.746 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.78 -51.36 6.09 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.839 2.36 . . . . 0.0 112.256 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 mp -96.19 90.58 5.55 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.98 27.67 1.0 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.01 -175.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 p -82.41 -26.46 32.78 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.76 0.79 . . . . 0.0 109.57 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.555 ' HB3' HD13 ' A' ' 83' ' ' ILE . 57.9 mtm -90.77 130.4 36.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.921 176.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 3.2 mppt? -100.2 142.98 30.94 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 177.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.2 mtp -104.5 126.41 51.57 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.646 0.736 . . . . 0.0 111.693 -175.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.443 ' O ' ' HA ' ' A' ' 84' ' ' ILE . 26.1 mt -107.29 120.74 59.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.819 178.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -100.01 123.92 44.79 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -177.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 96.6 t -125.82 125.12 67.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.351 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.1 m -101.5 133.38 45.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.271 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.52 129.76 56.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.003 -179.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.47 ' HB3' HD22 ' A' ' 54' ' ' LEU . . . -103.05 113.88 27.71 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.053 0.454 . . . . 0.0 110.359 -177.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.422 HG22 ' CG2' ' A' ' 22' ' ' ILE . 5.7 mt -91.5 101.13 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.779 HG13 HD23 ' A' ' 23' ' ' LEU . 1.3 mm -85.83 102.02 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -179.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.594 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . 4.5 tm-20 -123.27 122.16 37.66 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.456 -175.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.949 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -151.69 146.57 25.88 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.175 -0.92 . . . . 0.0 108.969 175.548 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 73.72 0.98 3.8 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.787 0.679 . . . . 0.0 110.525 -176.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.19 6.11 55.76 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -176.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.539 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 24.8 mttt -121.17 147.15 45.98 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -175.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.465 HG21 ' HE1' ' A' ' 39' ' ' PHE . 8.8 mt -104.8 147.76 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.628 -177.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.861 HD13 ' HG ' ' A' ' 106' ' ' LEU . 40.2 tp -86.72 123.29 31.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.572 -178.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.583 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 58.5 mt -117.09 154.9 30.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.05 173.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.494 ' HA ' ' O ' ' A' ' 105' ' ' ALA . . . -131.01 123.2 28.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.994 0.426 . . . . 0.0 111.567 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.565 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 0.5 OUTLIER -88.35 101.37 13.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.535 178.57 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.861 ' HB3' ' HA ' ' A' ' 103' ' ' HIS . 0.5 OUTLIER 164.15 110.28 0.02 OUTLIER Pre-proline 0 N--CA 1.47 0.529 0 O-C-N 124.177 0.923 . . . . 0.0 110.218 172.315 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -85.19 -150.63 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.477 2.118 . . . . 0.0 110.677 175.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -145.1 -67.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.102 0.477 . . . . 0.0 111.238 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -104.29 17.6 23.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.415 -175.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.409 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 7.1 m -89.36 -23.69 22.15 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.961 -178.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 61.63 24.3 14.43 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.608 -177.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 31' ' ' SER . 63.0 mt-30 -121.8 179.39 4.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.326 -177.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.1 148.46 27.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.966 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.05 -25.06 11.83 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.537 -0.84 . . . . 0.0 112.793 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.549 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 6.3 mp -77.8 151.38 34.01 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.804 0.335 . . . . 0.0 111.38 -178.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.583 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 13.2 m95 -122.22 159.2 27.78 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 177.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.436 ' OE2' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -152.44 -178.08 6.61 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 178.543 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.467 ' HZ ' HD22 ' A' ' 127' ' ' LEU . 98.8 m-85 -90.99 127.85 36.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 175.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.33 155.98 30.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 155.41 -130.52 2.82 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -177.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.02 178.6 32.21 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.54 177.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -79.87 151.8 29.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.39 -0.405 . . . . 0.0 110.113 178.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.0 t -99.14 128.39 50.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -177.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.592 ' HG3' ' HD2' ' A' ' 46' ' ' PRO . 4.0 tp10 -100.45 145.17 29.84 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 175.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.592 ' HD2' ' HG3' ' A' ' 45' ' ' GLU . 9.4 Cg_endo -52.8 -20.36 12.76 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.045 2.496 . . . . 0.0 113.173 -178.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -72.58 -20.61 61.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.774 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 53' ' ' ALA . 12.5 pt-20 -126.98 152.11 47.64 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.113 0.483 . . . . 0.0 110.944 -174.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.4 t -83.82 169.25 15.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.652 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.438 ' HB3' ' HH2' ' A' ' 89' ' ' TRP . 96.0 mt-30 -59.05 -51.81 68.46 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -175.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.473 ' O ' HG21 ' A' ' 55' ' ' VAL . 59.5 mtt180 -72.98 -30.9 64.17 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -64.64 -38.95 92.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.749 -179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.402 ' HA ' ' OE1' ' A' ' 48' ' ' GLU . . . -58.49 -51.83 68.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.484 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.708 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 22.7 mt -59.87 -47.44 85.74 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 120.709 0.29 . . . . 0.0 111.144 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.473 HG21 ' O ' ' A' ' 51' ' ' ARG . 86.4 t -59.03 -46.43 91.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.883 -177.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.559 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 5.3 ppt_? -74.31 -39.69 62.72 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.211 -177.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 5.1 mm-40 -60.95 -46.59 90.08 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.596 0.236 . . . . 0.0 111.25 177.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 32.6 mt -66.51 -32.97 74.67 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.08 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -60.62 -34.58 74.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.162 174.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 28.4 mt-10 -87.08 -37.05 17.77 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -178.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.592 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 2.1 mt-10 -89.35 -52.55 4.98 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.752 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.664 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 43.2 mt -97.64 4.14 50.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -171.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 45.21 37.48 5.97 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 114.635 0.614 . . . . 0.0 114.635 -175.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.439 HG12 ' HB2' ' A' ' 62' ' ' LEU . 36.0 pt -129.87 144.38 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 117.839 0.819 . . . . 0.0 111.792 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.46 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 7.6 mm-40 -89.35 93.4 9.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.848 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.93 157.11 22.04 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.478 -174.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.564 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 38.1 m -119.46 103.93 9.89 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.219 176.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.4 t -76.06 117.22 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.635 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.517 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . -162.76 62.73 0.26 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 119.847 -1.168 . . . . 0.0 113.973 -172.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.517 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 11.9 pt-20 158.46 148.03 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.208 1.003 . . . . 0.0 109.546 173.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.607 ' HA ' ' HD1' ' A' ' 89' ' ' TRP . 0.2 OUTLIER -104.26 127.51 51.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.268 -173.758 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.426 ' HB ' ' O ' ' A' ' 88' ' ' ALA . 85.5 t -97.81 -70.02 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.952 172.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -163.95 165.25 22.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 111.722 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 72.3 m -131.21 145.08 51.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.181 174.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -131.6 140.82 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.329 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -110.0 146.77 34.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.223 0.535 . . . . 0.0 111.283 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.464 ' HG3' HG13 ' A' ' 84' ' ' ILE . 15.2 ptt180 -158.55 174.19 15.46 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 172.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 6.7 pt-20 -118.8 151.52 37.9 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 119.245 -0.982 . . . . 0.0 111.716 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.566 ' HB ' HD12 ' A' ' 84' ' ' ILE . 3.8 p -126.33 94.92 2.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.678 172.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.2 m 53.06 66.88 1.1 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.784 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.19 17.25 71.89 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 116.089 -0.505 . . . . 0.0 113.916 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 78' ' ' GLU . 91.3 mtt180 -127.97 131.24 49.28 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.555 HD13 ' HB3' ' A' ' 6' ' ' MET . 1.7 mp -94.13 114.84 31.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.066 0.46 . . . . 0.0 110.389 -173.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.566 HD12 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -89.09 131.24 36.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.382 178.123 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -116.57 96.86 5.7 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.943 -176.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.585 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.2 mp -88.93 128.82 35.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 -176.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -109.24 112.98 25.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.668 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.426 ' O ' ' HB ' ' A' ' 72' ' ' VAL . . . -93.75 107.04 18.97 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.023 0.44 . . . . 0.0 110.372 177.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.607 ' HD1' ' HA ' ' A' ' 71' ' ' TYR . 7.6 m0 -111.05 150.4 29.39 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.41 177.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.594 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 39.6 t-80 -95.65 130.85 42.4 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.673 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.5 t -91.22 104.32 9.45 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.015 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.564 ' HD2' ' O ' ' A' ' 67' ' ' THR . 61.3 Cg_endo -75.45 -27.48 9.28 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.806 2.338 . . . . 0.0 112.627 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -153.18 141.93 21.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.683 -176.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -146.07 142.59 28.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.85 0.357 . . . . 0.0 110.587 178.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.46 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 76.7 t60 -103.84 121.83 43.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 126.07 -166.25 18.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.861 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 26.0 m -117.95 120.09 36.78 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.58 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 1.3 pt? -72.5 119.2 16.38 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.962 -174.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.664 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.0 pt20 -123.3 169.15 11.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.576 -176.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.455 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -113.94 104.53 12.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.816 0.341 . . . . 0.0 110.41 177.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -89.98 -69.09 0.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.222 -178.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.592 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 60.9 mm-40 -77.19 -36.99 54.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.218 0.532 . . . . 0.0 109.878 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.861 ' HA ' ' HB3' ' A' ' 27' ' ' ARG . 9.2 m-70 -86.96 156.86 19.62 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 174.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.476 ' H ' ' HB2' ' A' ' 27' ' ' ARG . 8.0 tt0 -95.83 -47.8 6.0 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -168.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.494 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -115.67 147.71 40.54 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.674 -178.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.861 ' HG ' HD13 ' A' ' 23' ' ' LEU . 2.5 tp -131.73 122.06 25.26 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -178.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.4 p -131.54 148.91 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.821 0.343 . . . . 0.0 111.591 -172.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.49 ' CZ2' HD13 ' A' ' 98' ' ' LEU . 10.8 m-90 -105.59 115.13 29.73 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 172.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.7 p -125.26 150.63 46.89 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.302 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.461 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 24.5 m -66.71 157.38 83.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.69 -52.67 7.18 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.969 2.446 . . . . 0.0 112.992 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.07 -28.5 68.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.75 0.31 . . . . 0.0 111.188 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.461 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 16.4 mm-40 -67.13 -41.33 86.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.317 178.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.04 -41.63 83.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.195 -174.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.539 HD21 HD13 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -73.15 -11.85 60.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.645 0.259 . . . . 0.0 111.329 -177.48 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.424 ' NE2' ' HA ' ' A' ' 113' ' ' GLU . 45.7 mt-30 -87.67 -8.26 56.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.206 0.527 . . . . 0.0 110.382 173.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.409 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 7.9 m-85 -88.68 154.69 50.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.612 178.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.549 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 37.0 Cg_endo -66.86 79.86 0.36 Allowed 'Trans proline' 0 CA--C 1.529 0.249 0 C-N-CA 122.365 2.043 . . . . 0.0 112.15 177.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 84.3 mt -89.38 153.73 20.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.273 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.553 ' HB1' ' OD1' ' A' ' 123' ' ' ASP . . . -72.65 160.06 83.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.577 177.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.525 ' HD2' ' HB3' ' A' ' 120' ' ' ALA . 18.9 Cg_endo -59.9 -13.03 20.76 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.227 2.618 . . . . 0.0 113.46 -177.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.435 ' HB3' HD22 ' A' ' 86' ' ' LEU . . . -93.01 -30.14 15.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.752 0.311 . . . . 0.0 110.659 178.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.553 ' OD1' ' HB1' ' A' ' 120' ' ' ALA . 3.8 m-20 -79.48 -29.24 41.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.874 -175.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.459 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 82.6 mt -60.01 -59.97 12.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.962 -176.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.459 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 15.9 Cg_endo -57.98 -26.57 75.47 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.428 2.085 . . . . 0.0 112.839 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.9 mt -75.23 -42.61 55.0 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.833 0.349 . . . . 0.0 110.317 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.539 HD13 HD21 ' A' ' 115' ' ' LEU . 2.8 tm? -73.58 -37.59 65.44 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -51.67 -42.15 61.91 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.739 0.304 . . . . 0.0 110.483 176.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.449 ' HA ' ' HB1' ' A' ' 132' ' ' ALA . . . -82.69 -21.66 34.79 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.433 ' HB3' HD23 ' A' ' 127' ' ' LEU . 85.9 t80 -70.52 -45.94 64.59 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 178.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.2 ptm -69.4 -33.12 72.54 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.57 175.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.449 ' HB1' ' HA ' ' A' ' 129' ' ' ALA . . . -60.56 -44.33 96.27 Favored 'General case' 0 C--N 1.338 0.085 0 CA-C-O 120.869 0.366 . . . . 0.0 111.384 174.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.469 ' O ' ' HD2' ' A' ' 137' ' ' ARG . 1.5 mp -62.51 -32.84 73.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.389 -176.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 134' ' ' ARG . 29.3 mtp180 -93.71 -17.4 23.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.496 -176.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.48 -39.02 12.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.055 0.455 . . . . 0.0 110.429 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -90.92 -41.76 10.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.322 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.469 ' HD2' ' O ' ' A' ' 133' ' ' LEU . 10.4 mmm180 63.19 99.66 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.352 0 O-C-N 123.996 0.81 . . . . 0.0 111.381 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.32 138.47 86.38 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.986 2.458 . . . . 0.0 112.509 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -94.27 -4.47 48.75 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.726 -178.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 . . . . . 0 C--O 1.247 0.972 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.726 179.59 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.409 ' HA2' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.817 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.409 ' HD2' ' HA2' ' A' ' 1' ' ' GLY . 10.3 Cg_endo -51.89 -61.4 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.458 2.772 . . . . 0.0 113.416 -175.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 24.8 tp -86.97 32.21 0.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.421 0.629 . . . . 0.0 110.675 -176.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.03 6.33 87.37 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.882 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 m -73.43 93.65 1.99 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.97 0.414 . . . . 0.0 110.756 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.483 ' HB3' HD13 ' A' ' 83' ' ' ILE . 56.9 mtt -90.05 118.34 29.53 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 176.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -95.0 141.3 28.82 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.1 mtt -99.75 130.83 46.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.55 0.691 . . . . 0.0 111.333 -177.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.567 ' O ' ' HA ' ' A' ' 84' ' ' ILE . 23.3 mt -106.45 109.93 29.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 114.724 -1.125 . . . . 0.0 108.251 176.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -96.27 125.17 40.6 Favored 'General case' 0 C--N 1.305 -1.345 0 C-N-CA 120.394 -0.523 . . . . 0.0 109.75 -175.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.613 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 89.8 t -125.29 128.62 72.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -178.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 87' ' ' HIS . 2.5 m -100.0 133.25 43.6 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.48 133.19 55.35 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.508 ' HB1' HD22 ' A' ' 54' ' ' LEU . . . -102.67 115.85 31.4 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.128 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.408 HG23 ' CG2' ' A' ' 22' ' ' ILE . 4.8 mt -93.68 98.89 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 174.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.474 HD12 HD22 ' A' ' 23' ' ' LEU . 46.9 mt -91.5 104.12 15.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -176.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.55 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 43.5 tt0 -109.27 112.2 24.21 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.003 -174.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.426 ' NH1' ' HA ' ' A' ' 93' ' ' ASP . 6.7 tpt180 -123.64 121.97 36.94 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.417 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 68.68 14.33 8.99 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.828 0.705 . . . . 0.0 111.275 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.93 2.89 58.2 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.395 -0.907 . . . . 0.0 112.326 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 9.4 mttp -113.34 150.06 33.12 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 108' ' ' TRP . 17.3 mt -104.18 148.48 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -177.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.474 HD22 HD12 ' A' ' 16' ' ' ILE . 42.9 tp -89.1 119.61 29.76 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.145 0.498 . . . . 0.0 111.365 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.644 HD23 ' HE3' ' A' ' 37' ' ' TRP . 7.0 mp -115.24 147.62 40.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.119 177.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.41 116.77 26.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.931 0.396 . . . . 0.0 111.312 -178.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.27 101.84 5.61 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.198 179.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.769 ' HD2' ' HD2' ' A' ' 28' ' ' PRO . 22.6 tpt180 157.79 120.52 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.49 0 O-C-N 124.76 1.287 . . . . 0.0 109.133 177.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.769 ' HD2' ' HD2' ' A' ' 27' ' ' ARG . 45.3 Cg_endo -85.11 -146.94 0.03 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.722 2.281 . . . . 0.0 111.275 175.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.8 -55.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 111.607 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -89.16 -17.15 29.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.045 0.45 . . . . 0.0 110.283 -177.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.9 m -90.12 140.85 29.26 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.506 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -88.84 -27.03 21.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.486 0.66 . . . . 0.0 109.557 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -63.86 132.14 49.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.294 178.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.43 164.7 11.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.602 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.6 -26.18 9.74 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.669 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.439 ' HA ' ' HG2' ' A' ' 118' ' ' PRO . 11.4 mt -75.6 145.85 40.83 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.86 0.362 . . . . 0.0 111.138 178.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.644 ' HE3' HD23 ' A' ' 24' ' ' LEU . 27.7 m0 -108.59 147.75 31.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.815 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.525 ' OE1' ' HA ' ' A' ' 28' ' ' PRO . 9.5 pt-20 -146.91 159.89 42.99 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -79.72 153.54 29.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.798 0.332 . . . . 0.0 110.421 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.4 ' CB ' HD12 ' A' ' 62' ' ' LEU . . . -81.46 160.8 23.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.756 -178.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.13 -139.61 7.04 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -178.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.88 177.04 37.77 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.317 -0.944 . . . . 0.0 112.884 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -77.9 152.12 33.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.014 0.435 . . . . 0.0 110.562 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -98.7 120.43 48.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -86.08 157.68 56.56 Favored Pre-proline 0 C--N 1.319 -0.737 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -74.5 3.32 5.44 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.416 2.077 . . . . 0.0 112.127 -174.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -101.73 -7.77 22.32 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.06 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -131.74 170.02 15.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.498 0.666 . . . . 0.0 112.362 -170.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.0 m -96.81 162.03 13.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.142 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -57.0 -55.22 37.5 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.817 0.341 . . . . 0.0 111.142 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.441 ' HB3' ' HB ' ' A' ' 68' ' ' VAL . 49.7 mtt180 -65.55 -31.68 72.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.143 0.497 . . . . 0.0 110.171 -179.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -70.08 -39.95 75.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.313 -176.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.67 96.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.649 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.53 ' O ' HD13 ' A' ' 58' ' ' LEU . 38.7 mt -62.72 -46.67 87.03 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 111.141 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 51' ' ' ARG . 53.1 t -59.51 -42.28 87.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.344 -177.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.578 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 11.9 ptt85 -76.39 -42.86 42.99 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.286 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.5 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 5.6 mm-40 -58.48 -49.88 75.76 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.7 0.286 . . . . 0.0 111.08 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 54' ' ' LEU . 9.9 mp -62.33 -32.71 73.51 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.296 176.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -63.86 -37.79 88.68 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.73 174.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 29.2 mt-10 -80.3 -45.47 17.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.971 -178.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.601 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 67.1 mm-40 -84.64 -51.75 6.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.524 -176.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.733 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 63.9 mt -100.17 7.28 44.64 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.709 -172.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 45.46 34.6 4.96 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 115.007 0.763 . . . . 0.0 115.007 -175.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.507 HG22 ' O ' ' A' ' 62' ' ' LEU . 47.8 pt -124.91 146.48 30.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 117.859 0.83 . . . . 0.0 112.014 -178.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 31.8 mt-10 -90.09 93.39 9.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.497 -0.774 . . . . 0.0 108.969 172.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.67 149.12 28.67 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.151 0.5 . . . . 0.0 111.612 -176.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.704 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 40.5 m -112.51 104.11 12.21 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.046 175.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 51' ' ' ARG . 49.5 t -88.15 122.26 39.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.863 -176.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.488 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . -167.52 76.71 0.12 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 119.755 -1.212 . . . . 0.0 114.152 -175.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.616 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 12.2 pt-20 146.95 119.39 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.559 1.544 . . . . 0.0 109.324 172.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.43 131.5 35.6 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.1 -176.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.5 t -97.07 -69.95 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.338 176.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.69 171.47 20.26 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.85 0.357 . . . . 0.0 111.321 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.7 p -136.67 147.32 46.76 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 176.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -139.52 147.21 40.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.859 0.361 . . . . 0.0 110.51 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -112.56 141.69 46.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.226 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.581 ' HD3' ' HB1' ' A' ' 122' ' ' ALA . 18.4 ptt180 -148.16 170.61 17.46 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 173.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -119.91 149.42 42.12 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 119.374 -0.931 . . . . 0.0 111.626 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.567 ' HB ' HD12 ' A' ' 84' ' ' ILE . 3.2 p -126.22 96.22 3.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.502 173.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 m 51.12 65.47 1.47 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.67 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.84 14.34 70.24 Favored Glycine 0 CA--C 1.521 0.427 0 CA-C-N 116.249 -0.432 . . . . 0.0 113.989 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.541 ' HB2' HG13 ' A' ' 79' ' ' VAL . 85.7 mtt180 -119.09 133.01 56.05 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 175.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' A' ' 6' ' ' MET . 1.9 mp -95.06 109.99 23.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.159 0.504 . . . . 0.0 110.575 -173.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.567 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -86.49 129.8 37.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.163 179.769 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -119.16 97.98 5.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.808 -175.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.613 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.2 mp -87.31 132.41 33.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.592 -175.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.4 ' HB2' HG12 ' A' ' 12' ' ' VAL . 48.6 m-70 -113.53 112.72 24.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.73 176.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.497 ' HB1' ' CD2' ' A' ' 126' ' ' LEU . . . -90.14 110.47 21.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.129 0.49 . . . . 0.0 110.895 179.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.403 ' HB3' HG11 ' A' ' 68' ' ' VAL . 82.8 m95 -108.09 136.72 47.3 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.626 176.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.616 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 45.9 t-80 -84.9 125.66 32.83 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.449 ' HB ' ' HA ' ' A' ' 16' ' ' ILE . 61.8 t -91.43 101.69 4.65 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.634 175.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.704 ' HD2' ' O ' ' A' ' 67' ' ' THR . 55.5 Cg_endo -71.68 -22.62 23.85 Favored 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 122.816 2.344 . . . . 0.0 112.436 -179.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.426 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 38.7 t70 -158.05 148.68 20.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.983 0.421 . . . . 0.0 111.505 -178.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -143.72 145.45 32.43 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 37.3 t-80 -109.81 120.31 42.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.684 0.278 . . . . 0.0 110.559 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 130.48 -165.64 22.63 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.202 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 89.7 m -122.17 129.32 52.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.015 0.436 . . . . 0.0 110.697 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.476 HD22 HG21 ' A' ' 64' ' ' ILE . 18.6 mt -59.54 129.34 41.5 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.946 -1.024 . . . . 0.0 112.007 -176.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.733 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 9.7 pt20 -140.27 155.78 46.73 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.342 175.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.478 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -111.47 124.14 51.66 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.638 0.256 . . . . 0.0 111.488 177.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -98.0 -66.55 0.89 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.065 0.459 . . . . 0.0 110.292 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.601 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 12.4 mm-40 -76.89 -29.66 55.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.052 177.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.529 ' HA ' ' CB ' ' A' ' 27' ' ' ARG . 53.6 m-70 -96.96 163.82 12.79 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.672 -175.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -94.78 -64.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.985 0.421 . . . . 0.0 111.023 -175.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.32 149.04 28.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.792 -175.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.501 HD23 HD21 ' A' ' 62' ' ' LEU . 1.4 tp -123.64 125.15 44.3 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.4 p -137.76 128.72 38.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.389 0.614 . . . . 0.0 111.457 -173.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.519 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 23.1 p90 -94.78 125.38 39.4 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.317 172.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.525 ' SG ' HD13 ' A' ' 24' ' ' LEU . 26.0 p -144.11 157.97 44.0 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.692 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.499 ' HB2' ' HG3' ' A' ' 113' ' ' GLU . 5.6 m -71.38 155.12 93.19 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -175.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.522 ' O ' HD12 ' A' ' 127' ' ' LEU . 48.7 Cg_exo -47.25 -49.74 12.38 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.06 2.506 . . . . 0.0 113.079 -178.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 1.6 pm0 -65.87 -36.31 83.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.959 -177.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.499 ' HG3' ' HB2' ' A' ' 110' ' ' SER . 28.7 mt-10 -67.14 -38.65 85.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.979 0.418 . . . . 0.0 110.153 177.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.25 90.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.726 -176.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.522 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -71.36 -16.07 62.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.711 0.291 . . . . 0.0 111.232 -175.501 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 112' ' ' GLU . 52.4 mt-30 -79.92 -8.13 59.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.022 0.439 . . . . 0.0 110.879 177.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.526 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 32.2 m-85 -100.81 165.71 13.78 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.765 -178.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.526 ' HD2' ' HB3' ' A' ' 117' ' ' TYR . 55.8 Cg_endo -70.29 76.82 1.32 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.524 2.149 . . . . 0.0 112.705 -178.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.428 HD22 ' O ' ' A' ' 37' ' ' TRP . 41.9 mt -86.48 152.76 22.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.2 176.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.505 ' HB1' ' OD1' ' A' ' 123' ' ' ASP . . . -68.12 155.2 92.64 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.659 178.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 120' ' ' ALA . 17.7 Cg_endo -59.37 -13.96 22.77 Favored 'Trans proline' 0 CA--C 1.534 0.502 0 C-N-CA 123.197 2.598 . . . . 0.0 114.214 -174.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.581 ' HB1' ' HD3' ' A' ' 77' ' ' ARG . . . -98.18 -25.52 14.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.017 -0.427 . . . . 0.0 111.068 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.505 ' OD1' ' HB1' ' A' ' 120' ' ' ALA . 2.0 m-20 -78.27 -26.25 47.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.854 -178.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.462 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 80.3 mt -62.94 -59.03 13.6 Favored Pre-proline 0 CA--C 1.537 0.468 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.33 -179.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.462 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 10.4 Cg_endo -55.49 -32.12 81.14 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.85 2.367 . . . . 0.0 112.904 179.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.497 ' CD2' ' HB1' ' A' ' 88' ' ' ALA . 5.0 mp -73.73 -45.31 52.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.991 0.424 . . . . 0.0 110.506 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 111' ' ' PRO . 2.9 tm? -69.83 -38.45 76.53 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.808 178.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -49.99 -44.79 51.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.345 176.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.463 ' HA ' ' HB1' ' A' ' 132' ' ' ALA . . . -80.91 -20.68 41.59 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.574 -179.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -74.1 -47.36 36.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.8 ptm -68.16 -32.64 73.05 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.618 174.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.463 ' HB1' ' HA ' ' A' ' 129' ' ' ALA . . . -59.22 -40.13 84.86 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.124 0.488 . . . . 0.0 110.766 172.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 mp -67.65 -35.28 78.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.543 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -81.26 -17.89 47.88 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -86.41 -35.39 19.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.129 0.49 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -94.79 -34.74 12.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.334 178.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 56.66 88.91 0.11 Allowed Pre-proline 0 N--CA 1.463 0.212 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.723 -178.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -58.38 106.83 0.29 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.989 2.459 . . . . 0.0 112.016 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -125.43 5.71 7.65 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.366 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 36.5 t70 . . . . . 0 C--O 1.247 0.952 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.296 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 111.679 -0.568 . . . . 0.0 111.679 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.68 149.23 54.49 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.531 2.154 . . . . 0.0 110.86 174.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.6 tp -70.64 -43.89 68.27 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.45 96.82 0.71 Allowed Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.526 176.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -57.0 -50.06 73.88 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 122.079 0.152 . . . . 0.0 111.0 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 61.7 mtt 66.23 103.76 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.935 0.772 . . . . 0.0 111.007 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -88.74 140.84 29.03 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.8 mtp -94.45 127.87 40.64 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.41 0.624 . . . . 0.0 110.755 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.47 ' HB ' HG22 ' A' ' 84' ' ' ILE . 40.4 mt -108.42 104.81 17.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.261 178.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -97.59 118.71 34.71 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -174.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.565 ' HB ' ' HG ' ' A' ' 86' ' ' LEU . 93.9 t -118.03 141.23 38.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.649 -174.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.06 132.05 62.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.059 0.457 . . . . 0.0 110.713 177.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.62 126.66 55.6 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.299 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.489 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -102.82 109.57 21.19 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.136 0.493 . . . . 0.0 109.981 -178.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.431 HG21 ' CG2' ' A' ' 22' ' ' ILE . 7.6 mt -92.52 105.02 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.062 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.133 178.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.846 HG13 HD22 ' A' ' 23' ' ' LEU . 2.7 mm -82.3 102.13 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.605 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . 3.2 tm-20 -116.85 117.1 28.8 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.4 ' HG3' ' OD2' ' A' ' 19' ' ' ASP . 25.3 tpt180 -136.61 127.69 27.84 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.306 -177.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.4 ' OD2' ' HG3' ' A' ' 18' ' ' ARG . 41.7 m-20 66.9 17.59 10.54 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.491 0.494 . . . . 0.0 111.208 178.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.24 4.82 66.16 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.996 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 12.5 mmtp -115.71 141.05 48.6 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -178.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 108' ' ' TRP . 49.0 mt -103.63 144.65 13.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.932 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.846 HD22 HG13 ' A' ' 16' ' ' ILE . 50.7 tp -83.4 109.69 17.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.654 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.472 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 7.3 mp -98.71 127.81 44.76 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 175.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.08 112.9 20.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.675 0.274 . . . . 0.0 110.541 -177.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.578 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 7.1 tt0 -70.26 108.44 4.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.895 -175.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.578 ' HB2' ' O ' ' A' ' 26' ' ' GLN . 23.8 ttt180 162.96 114.35 0.01 OUTLIER Pre-proline 0 N--CA 1.469 0.522 0 O-C-N 124.368 1.042 . . . . 0.0 110.719 168.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.479 ' HD2' ' HA ' ' A' ' 27' ' ' ARG . 24.4 Cg_endo -63.66 -17.62 60.72 Favored 'Trans proline' 0 CA--C 1.516 -0.387 0 C-N-CA 123.035 2.49 . . . . 0.0 111.383 173.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.539 ' H ' ' HG2' ' A' ' 27' ' ' ARG . . . 80.41 -75.51 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 113.358 -1.746 . . . . 0.0 111.83 173.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -85.75 2.85 43.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.053 0.454 . . . . 0.0 111.376 -175.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.526 ' OG ' ' HG2' ' A' ' 33' ' ' GLN . 27.6 t -104.27 152.57 22.05 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 175.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -85.89 -7.72 58.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.567 -175.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.526 ' HG2' ' OG ' ' A' ' 31' ' ' SER . 12.1 pt20 -89.49 162.86 15.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.614 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -141.19 -174.28 3.97 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.525 178.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.96 -27.8 18.24 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.315 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.506 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 26.4 mt -77.92 154.08 31.98 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 122.566 0.346 . . . . 0.0 110.666 177.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.604 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 73.0 m95 -113.52 140.91 47.74 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 175.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.435 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 37.8 mp0 -141.82 166.17 25.46 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -177.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.414 ' HZ ' HD22 ' A' ' 127' ' ' LEU . 60.6 m-85 -82.89 159.86 22.26 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.36 175.91 7.14 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.35 -135.41 6.83 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.6 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.556 ' O ' HG12 ' A' ' 11' ' ' VAL . . . 170.29 -145.23 8.96 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.196 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -124.84 152.59 43.76 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -175.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.9 t -95.59 113.82 30.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.0 -175.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.484 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 34.7 mm-40 -82.29 141.15 45.82 Favored Pre-proline 0 N--CA 1.442 -0.847 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 175.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -50.74 -37.07 53.45 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.804 2.336 . . . . 0.0 112.537 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -78.57 -2.48 39.06 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -176.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.484 ' HG2' ' HB2' ' A' ' 45' ' ' GLU . 12.6 pt-20 -129.5 173.99 10.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.121 0.486 . . . . 0.0 111.471 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 t -105.44 164.28 11.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.921 -175.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -60.11 -55.12 37.77 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.338 -178.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 55' ' ' VAL . 58.4 mtt180 -61.63 -32.8 72.96 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-O 120.877 0.37 . . . . 0.0 110.171 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -70.74 -46.14 63.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.275 -177.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -59.24 -46.31 88.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.747 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.713 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 27.2 mt -61.19 -45.23 95.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.206 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 51' ' ' ARG . 46.8 t -61.72 -45.45 98.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.026 -177.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -71.28 -39.65 71.38 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.078 -176.528 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.6 -46.65 81.77 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 26.5 mt -66.08 -33.99 77.04 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.57 -178.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -56.88 -34.22 67.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.95 0.405 . . . . 0.0 110.718 174.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -89.66 -43.03 11.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.933 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.577 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 69.7 mm-40 -89.71 -38.36 13.91 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -173.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.444 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 57.3 mt -101.54 -19.82 15.33 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.633 -175.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.54 15.29 71.43 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.075 -1.059 . . . . 0.0 111.917 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.479 HD13 ' CB ' ' A' ' 94' ' ' PHE . 45.4 pt -123.21 144.14 33.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.856 0.36 . . . . 0.0 111.177 -177.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -86.56 99.72 11.89 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 171.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.407 ' CB ' HD11 ' A' ' 58' ' ' LEU . . . -84.97 148.14 26.36 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.308 0.575 . . . . 0.0 111.971 -172.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.667 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 40.7 m -111.75 106.17 14.87 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.013 174.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.5 t -92.71 124.43 45.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -177.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.427 ' HA2' ' NH1' ' A' ' 51' ' ' ARG . . . -171.41 68.24 0.13 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 119.852 -1.166 . . . . 0.0 113.969 -176.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.521 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 10.6 pt-20 157.65 104.31 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.82 1.248 . . . . 0.0 109.278 177.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.709 ' HH ' ' HB3' ' A' ' 74' ' ' SER . 9.4 t80 -79.94 129.55 34.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.976 -176.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.575 HG12 ' HD1' ' A' ' 130' ' ' PHE . 75.7 t -100.05 -69.76 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -177.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' A' ' 129' ' ' ALA . . . -137.21 -177.89 4.97 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -172.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.709 ' HB3' ' HH ' ' A' ' 71' ' ' TYR . 24.8 p -162.97 136.74 6.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.078 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -135.53 130.35 34.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.822 0.344 . . . . 0.0 110.196 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -108.33 136.16 48.43 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.159 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.602 ' HG3' HG13 ' A' ' 84' ' ' ILE . 9.3 ptm180 -153.66 176.71 11.78 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 178.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -117.04 151.95 35.68 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.765 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.594 ' HB ' HD12 ' A' ' 84' ' ' ILE . 2.7 p -127.22 95.06 2.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 171.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.2 t 50.81 63.71 2.12 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.053 -177.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.66 -19.68 18.8 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 121.148 -0.549 . . . . 0.0 114.395 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -97.27 133.49 41.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.514 0.657 . . . . 0.0 110.834 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.9 mp -90.45 115.18 29.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.776 0.322 . . . . 0.0 110.845 -173.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.602 HG13 ' HG3' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -92.06 135.0 28.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.187 0.517 . . . . 0.0 110.465 176.459 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -125.62 98.73 5.69 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.734 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.565 ' HG ' ' HB ' ' A' ' 11' ' ' VAL . 6.3 mp -88.04 133.48 33.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.566 -176.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.487 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . 39.9 m80 -112.25 113.98 26.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.721 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.99 109.69 20.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.762 0.315 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -107.7 147.23 31.02 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.622 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.605 ' NE2' ' HB3' ' A' ' 17' ' ' GLU . 9.7 t-160 -102.4 127.81 49.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 173.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.481 HG22 HD13 ' A' ' 16' ' ' ILE . 12.4 m -92.71 104.37 11.28 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-O 121.222 0.534 . . . . 0.0 110.225 174.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.667 ' HD2' ' O ' ' A' ' 67' ' ' THR . 59.0 Cg_endo -72.18 -8.89 23.63 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 123.09 2.527 . . . . 0.0 112.733 -179.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.413 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 20.5 t70 -157.62 145.24 18.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.902 0.382 . . . . 0.0 110.997 -178.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.479 ' CB ' HD13 ' A' ' 64' ' ' ILE . 38.6 p90 -151.11 144.94 25.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.233 174.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -111.69 124.16 51.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.547 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.32 -160.01 18.92 Favored Glycine 0 N--CA 1.453 -0.198 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.5 m -122.42 125.73 46.47 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.447 ' H ' ' HG ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -75.46 122.07 23.27 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.697 0.761 . . . . 0.0 110.727 -175.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.444 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 29.8 pt20 -140.86 166.84 23.68 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.869 -176.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -101.92 110.49 22.48 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.262 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.577 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 34.2 t-80 -83.92 -65.25 1.03 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.45 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -84.33 -36.4 22.58 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.487 178.773 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -75.12 175.04 8.6 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.427 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -95.52 -73.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.549 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -120.24 163.02 18.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.472 0.177 . . . . 0.0 111.194 -176.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.446 ' HB3' HD13 ' A' ' 23' ' ' LEU . 2.3 mm? -122.16 137.97 54.64 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.9 p -134.99 130.58 52.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.084 0.469 . . . . 0.0 110.249 172.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.445 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 15.8 p90 -99.43 121.06 40.6 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.465 0.65 . . . . 0.0 110.557 177.045 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 39.3 m -145.33 156.88 44.06 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.551 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.9 m -66.51 155.84 87.56 Favored Pre-proline 0 C--N 1.315 -0.893 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -177.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.581 ' O ' HD12 ' A' ' 127' ' ' LEU . 5.8 Cg_endo -49.92 -42.26 45.35 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.006 2.471 . . . . 0.0 112.903 -178.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -66.96 -33.09 74.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.798 0.332 . . . . 0.0 111.064 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -72.77 -40.76 65.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.703 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.82 -38.67 75.99 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.365 -173.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -71.66 -12.93 61.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.877 0.37 . . . . 0.0 110.868 -175.537 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -86.26 -8.7 57.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.151 0.5 . . . . 0.0 110.373 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.477 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 38.6 m-85 -89.01 165.97 24.25 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.805 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.477 ' HD2' ' HB3' ' A' ' 117' ' ' TYR . 72.3 Cg_endo -73.77 73.37 3.59 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.121 1.88 . . . . 0.0 111.803 176.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.604 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 77.9 mt -80.81 150.89 29.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.251 178.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.562 ' HB1' ' OD1' ' A' ' 123' ' ' ASP . . . -59.8 152.46 58.42 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 177.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.4 -11.74 24.25 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.052 2.502 . . . . 0.0 113.275 -177.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.421 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -95.49 -26.05 15.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.034 0.445 . . . . 0.0 109.905 176.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.562 ' OD1' ' HB1' ' A' ' 120' ' ' ALA . 1.0 OUTLIER -82.75 -26.32 32.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.206 -174.261 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.421 ' N ' ' HD2' ' A' ' 125' ' ' PRO . 73.3 mt -62.15 -57.27 24.4 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.853 -177.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 29.5 Cg_endo -63.35 -21.88 71.68 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.28 1.987 . . . . 0.0 112.747 179.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 84.7 mt -77.14 -42.81 36.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.874 0.369 . . . . 0.0 110.142 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.581 HD12 ' O ' ' A' ' 111' ' ' PRO . 3.2 tm? -70.33 -36.29 74.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.552 178.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -47.9 -45.66 30.93 Favored 'General case' 0 N--CA 1.458 -0.067 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.046 175.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.626 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -83.93 -14.73 50.23 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.575 ' HD1' HG12 ' A' ' 72' ' ' VAL . 57.8 t80 -75.46 -46.74 30.73 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.7 ptm -70.02 -34.82 73.77 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.872 174.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.626 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -60.01 -41.29 91.81 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 120.669 0.271 . . . . 0.0 111.022 172.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 129' ' ' ALA . 1.4 tp -67.31 -33.59 75.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.929 -177.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 37.1 mtp85 -87.06 -9.92 54.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.751 0.31 . . . . 0.0 111.316 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -96.19 -39.46 9.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.107 0.48 . . . . 0.0 110.345 175.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -84.95 -24.84 28.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.451 178.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 137' ' ' ARG . 43.6 ttp180 73.41 122.32 0.03 OUTLIER Pre-proline 0 C--O 1.232 0.17 0 O-C-N 124.183 0.927 . . . . 0.0 111.083 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.07 115.02 3.06 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.88 2.387 . . . . 0.0 112.455 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -137.79 11.6 2.91 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.421 176.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 C--O 1.25 1.115 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.71 -176.736 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 111.661 -0.576 . . . . 0.0 111.661 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -82.06 100.8 1.09 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 123.101 2.534 . . . . 0.0 111.525 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.3 tp 68.07 110.78 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.249 0.619 . . . . 0.0 111.708 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.41 178.05 32.55 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 173.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 t -67.83 -29.62 68.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 117.111 0.455 . . . . 0.0 110.087 178.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.856 ' HE2' ' HA ' ' A' ' 6' ' ' MET . 9.9 mmt 68.5 -174.03 0.19 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.387 176.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -119.99 148.13 43.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.825 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.1 mtp -102.28 137.03 41.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.094 175.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.567 ' HB ' HG22 ' A' ' 84' ' ' ILE . 58.4 mt -111.88 122.55 66.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.26 -178.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -99.44 121.1 40.66 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.622 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 97.2 t -124.92 120.52 58.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -178.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.415 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 1.6 m -98.93 134.05 39.24 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.404 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.96 131.76 56.8 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.034 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.485 ' HB2' HD21 ' A' ' 54' ' ' LEU . . . -102.62 120.93 41.41 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.107 0.48 . . . . 0.0 110.403 -177.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.413 HG22 ' CG2' ' A' ' 22' ' ' ILE . 5.2 mt -94.18 99.58 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 175.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.751 HG13 HD21 ' A' ' 23' ' ' LEU . 2.2 mm -87.59 110.39 20.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -176.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' CD ' HH12 ' A' ' 134' ' ' ARG . 59.5 tt0 -104.88 119.59 39.36 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.668 -178.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.435 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -142.2 138.96 31.86 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 175.843 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.425 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 18.3 t70 79.21 -22.05 0.3 Allowed 'General case' 0 N--CA 1.474 0.757 0 O-C-N 123.956 0.785 . . . . 0.0 110.712 -175.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.21 3.78 29.37 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 -165.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -109.51 161.3 15.47 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.419 -0.891 . . . . 0.0 109.609 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.413 ' CG2' HG22 ' A' ' 15' ' ' ILE . 13.0 mt -105.81 147.04 11.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.751 HD21 HG13 ' A' ' 16' ' ' ILE . 55.2 tp -87.39 116.99 25.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.335 -178.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.421 HD12 ' SG ' ' A' ' 109' ' ' CYS . 7.6 mp -111.52 134.96 52.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.953 176.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.75 121.2 43.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.289 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 37' ' ' TRP . 34.9 tt0 -68.14 117.72 10.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.284 0.564 . . . . 0.0 112.272 -176.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -175.12 133.56 0.48 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 114.3 -1.318 . . . . 0.0 108.632 175.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.583 ' HG3' ' HA ' ' A' ' 34' ' ' ALA . 87.7 Cg_endo -87.07 -25.95 0.97 Allowed 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.196 1.931 . . . . 0.0 112.698 176.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 67.9 -79.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.796 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -95.0 -21.98 18.24 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.442 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.555 ' HB2' ' HB2' ' A' ' 28' ' ' PRO . 58.5 m -78.49 147.56 33.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.072 177.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -99.31 4.1 46.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.189 0.519 . . . . 0.0 110.568 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -78.97 -38.71 36.25 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.759 -173.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.583 ' HA ' ' HG3' ' A' ' 28' ' ' PRO . . . 65.49 172.74 0.22 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.624 -172.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.44 -14.16 42.24 Favored Glycine 0 CA--C 1.516 0.121 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.805 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.565 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 5.9 mp -77.34 155.76 31.74 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 123.001 0.521 . . . . 0.0 110.748 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.436 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 62.2 m95 -114.76 145.42 42.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.244 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -133.42 156.85 46.95 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -82.71 122.35 28.05 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 175.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.87 146.38 32.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.229 -176.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.7 -137.09 4.32 Favored Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 -176.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.22 -152.33 20.94 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.603 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -114.03 151.77 31.95 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -176.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.7 t -98.25 118.72 45.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.123 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.33 143.63 45.23 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 175.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.84 -6.04 4.26 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.964 2.442 . . . . 0.0 114.006 -173.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -115.94 12.62 15.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.855 0.359 . . . . 0.0 111.435 -177.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -135.34 158.73 43.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.979 173.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.8 m -85.24 160.03 19.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.082 -177.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -57.22 -42.67 81.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.873 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.448 ' O ' HG22 ' A' ' 55' ' ' VAL . 53.0 mtt180 -69.92 -35.51 74.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.274 178.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -68.09 -43.05 79.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.845 -175.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.43 88.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.797 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.698 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 22.8 mt -59.42 -47.14 86.62 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.745 0.307 . . . . 0.0 110.671 176.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 51' ' ' ARG . 53.7 t -59.21 -44.48 92.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.177 -176.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 4.3 ppt_? -76.32 -42.22 45.85 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.311 -178.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.84 -44.14 97.44 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.251 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 54.3 mt -66.49 -34.69 78.49 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.909 178.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.438 ' O ' ' HA2' ' A' ' 63' ' ' GLY . 22.6 ttt85 -61.51 -34.41 75.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.122 176.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 21.4 mt-10 -87.85 -39.85 14.48 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.511 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.599 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 54.3 mm-40 -82.19 -51.43 7.96 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.641 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 50.8 mt -97.11 -21.56 17.28 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.75 -175.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . 81.51 28.1 44.94 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.036 -1.078 . . . . 0.0 110.935 176.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.454 HG12 ' HB2' ' A' ' 62' ' ' LEU . 33.3 pt -125.91 146.0 32.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.369 0.604 . . . . 0.0 111.289 -177.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.553 ' HB2' ' HB2' ' A' ' 95' ' ' HIS . 60.2 mt-10 -91.71 93.28 8.81 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 173.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.18 154.1 24.43 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.798 -173.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.478 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 79.7 m -113.92 103.74 11.47 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.533 176.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.8 t -80.66 126.41 39.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.182 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -121.03 -87.86 0.98 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.341 -0.933 . . . . 0.0 113.144 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.59 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 6.7 pt-20 -94.69 137.54 33.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.585 0.707 . . . . 0.0 112.452 -173.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -79.81 131.31 35.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.942 177.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 67.7 t -93.45 -70.15 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.801 0.334 . . . . 0.0 111.442 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.93 169.06 25.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.99 0.424 . . . . 0.0 111.304 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.0 p -134.44 146.46 49.83 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.168 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -133.78 133.76 42.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.901 -179.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -101.91 141.04 35.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.195 0.521 . . . . 0.0 110.859 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -152.79 173.68 15.0 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 175.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -121.0 150.81 40.56 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 119.341 -0.944 . . . . 0.0 111.201 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.587 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.6 p -117.99 93.55 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.782 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 171.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.8 m 45.5 71.12 0.3 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.21 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.18 -23.3 8.3 Favored Glycine 0 CA--C 1.522 0.496 0 CA-C-N 116.11 -0.496 . . . . 0.0 114.293 177.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.528 ' HB2' HG11 ' A' ' 79' ' ' VAL . 84.5 mtt180 -93.9 134.31 36.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.566 0.683 . . . . 0.0 110.016 -179.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mp -93.35 114.65 30.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.841 0.353 . . . . 0.0 110.574 -173.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.587 HD11 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -93.19 137.72 21.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.385 0.612 . . . . 0.0 111.053 179.903 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -119.39 99.85 6.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.182 -0.917 . . . . 0.0 108.956 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.622 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 5.8 mp -89.36 129.34 35.91 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.327 -178.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -112.91 112.97 24.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.818 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.422 ' HB2' HD11 ' A' ' 126' ' ' LEU . . . -90.05 110.23 21.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.968 0.413 . . . . 0.0 110.332 177.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -105.34 136.84 44.13 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.149 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.59 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 19.9 t-160 -85.17 114.22 22.12 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.5 t -95.62 102.5 10.26 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 87.3 Cg_endo -85.73 -10.91 7.08 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.784 2.323 . . . . 0.0 112.869 -175.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -155.87 144.49 20.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.361 . . . . 0.0 110.914 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -146.75 149.35 33.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.101 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.553 ' HB2' ' HB2' ' A' ' 65' ' ' GLU . 92.4 m-70 -107.04 128.64 54.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.449 177.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.09 -162.03 12.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.684 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.7 m -130.41 142.34 50.51 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.429 HD11 ' H ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -78.91 132.78 36.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.62 0.724 . . . . 0.0 111.504 -173.468 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.641 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 25.2 pt20 -130.11 158.71 38.91 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.592 176.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -106.24 99.58 9.16 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.47 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 51.8 t-80 -77.71 -70.49 0.47 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.041 178.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.599 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 13.8 mt-10 -85.97 1.77 48.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.318 0.58 . . . . 0.0 110.612 177.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -115.79 174.21 6.14 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.706 -175.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -98.11 -54.35 3.1 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.862 -178.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.63 169.56 18.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.488 0.185 . . . . 0.0 111.429 -176.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -120.72 138.82 53.78 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.72 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.7 p -134.03 145.12 33.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.873 0.368 . . . . 0.0 110.623 174.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 22.7 m-90 -106.63 117.93 35.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.001 175.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.536 ' HB2' ' HB2' ' A' ' 113' ' ' GLU . 18.3 p -136.73 155.69 49.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.722 176.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.505 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 13.7 m -71.8 162.16 74.76 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.236 -176.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.505 ' HD2' ' HB3' ' A' ' 110' ' ' SER . 12.7 Cg_endo -56.38 -19.34 28.17 Favored 'Trans proline' 0 N--CA 1.48 0.72 0 C-N-CA 123.182 2.588 . . . . 0.0 113.152 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -89.13 -37.83 14.78 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.831 177.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.536 ' HB2' ' HB2' ' A' ' 109' ' ' CYS . 8.2 mm-40 -70.2 -38.78 75.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.022 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.26 -38.62 71.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.919 -175.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.521 HD21 HD13 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -77.3 -11.64 59.86 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.112 -176.751 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -84.9 -11.42 55.63 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.051 0.453 . . . . 0.0 110.638 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.446 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 27.0 m-85 -86.9 155.71 55.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.568 178.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.565 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 56.6 Cg_endo -70.35 80.28 1.06 Allowed 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.059 1.84 . . . . 0.0 111.685 177.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 65.3 mt -85.59 152.52 23.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.192 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.559 ' HB1' ' OD1' ' A' ' 123' ' ' ASP . . . -66.14 156.74 83.68 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.569 178.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 120' ' ' ALA . 13.6 Cg_endo -57.07 -16.37 20.92 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.227 2.618 . . . . 0.0 113.762 -177.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.422 ' HB1' HD21 ' A' ' 86' ' ' LEU . . . -95.59 -23.91 16.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.857 0.361 . . . . 0.0 111.02 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.559 ' OD1' ' HB1' ' A' ' 120' ' ' ALA . 1.6 m-20 -81.8 -26.04 34.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.795 -175.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.685 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 74.3 mt -63.85 -60.11 9.82 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.807 -176.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.496 ' HA ' ' OE1' ' A' ' 128' ' ' GLU . 10.9 Cg_endo -54.09 -33.94 75.93 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 122.807 2.338 . . . . 0.0 112.953 -179.034 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.422 HD11 ' HB2' ' A' ' 88' ' ' ALA . 89.1 mt -72.02 -40.65 68.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.808 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.521 HD13 HD21 ' A' ' 115' ' ' LEU . 2.6 tm? -72.88 -37.24 67.39 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -178.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.685 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 42.5 mt-10 -51.19 -43.4 61.33 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.885 177.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.442 ' HA ' ' HB1' ' A' ' 132' ' ' ALA . . . -78.61 -25.15 45.1 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.641 -178.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.481 ' O ' ' HG3' ' A' ' 134' ' ' ARG . 72.7 t80 -70.94 -45.48 64.1 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.8 ptm -69.18 -34.33 74.77 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.002 175.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.442 ' HB1' ' HA ' ' A' ' 129' ' ' ALA . . . -56.93 -44.83 82.85 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.988 0.423 . . . . 0.0 110.931 173.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.43 -35.06 79.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.248 -177.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 130' ' ' PHE . 49.6 mtp85 -79.84 -23.13 42.19 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.9 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -84.23 -37.52 21.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.42 -177.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -105.66 -10.43 16.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.543 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 36.83 82.38 0.23 Allowed Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 124.324 1.05 . . . . 0.0 112.863 -176.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -83.73 155.01 13.58 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.854 2.369 . . . . 0.0 112.84 -178.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -110.6 5.75 21.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.668 0.747 . . . . 0.0 109.365 175.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 C--O 1.246 0.907 0 CA-C-N 114.845 -1.071 . . . . 0.0 109.963 -178.243 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.47 ' HA3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 111.836 -0.505 . . . . 0.0 111.836 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.47 ' HD3' ' HA3' ' A' ' 1' ' ' GLY . 5.7 Cg_endo -85.03 88.59 0.91 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.939 2.426 . . . . 0.0 112.103 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.5 mt -96.19 80.65 3.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.135 0.493 . . . . 0.0 110.696 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.26 -82.57 0.68 Allowed Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 176.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -157.58 153.21 26.52 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 175.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.499 ' HB3' HD12 ' A' ' 83' ' ' ILE . 55.2 mtm -75.81 118.24 18.4 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.553 -177.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -89.92 157.89 17.66 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.433 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 67.5 mtt -112.96 141.64 46.57 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.446 0.641 . . . . 0.0 111.3 -176.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.646 ' HB ' HG22 ' A' ' 84' ' ' ILE . 37.4 mt -113.1 124.42 69.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 114.782 -1.099 . . . . 0.0 108.496 178.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -98.24 124.83 43.05 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -175.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 84.1 t -131.82 136.93 56.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.468 HG11 ' HB2' ' A' ' 87' ' ' HIS . 2.8 m -110.05 138.75 36.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-O 120.965 0.412 . . . . 0.0 110.481 177.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.85 130.98 56.05 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.486 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' HB2' HD23 ' A' ' 54' ' ' LEU . . . -102.64 114.78 29.3 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.051 0.453 . . . . 0.0 110.071 -178.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.45 HG22 ' CG2' ' A' ' 22' ' ' ILE . 7.3 mt -90.94 99.63 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.67 HG13 HD23 ' A' ' 23' ' ' LEU . 2.1 mm -81.12 102.05 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 -179.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 37.2 tt0 -110.93 119.18 38.22 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.23 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.506 HH12 ' HA ' ' A' ' 93' ' ' ASP . 5.2 tpt180 -137.16 125.28 22.98 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.503 177.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 72.17 7.63 5.77 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.79 0.681 . . . . 0.0 111.841 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.63 10.6 46.66 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.168 -1.015 . . . . 0.0 111.522 -176.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 7.9 mttt -121.52 144.76 48.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 110.467 179.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' A' ' 108' ' ' TRP . 28.3 mt -104.82 150.16 7.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.317 -177.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.67 HD23 HG13 ' A' ' 16' ' ' ILE . 35.4 tp -89.87 122.45 32.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.236 0.541 . . . . 0.0 111.231 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.765 HD12 ' HG ' ' A' ' 109' ' ' CYS . 6.1 mp -117.18 138.52 51.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.892 177.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.04 121.35 38.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.023 0.44 . . . . 0.0 111.489 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.519 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 53.7 tt0 -79.29 98.21 6.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.116 -178.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.552 ' HD3' ' O ' ' A' ' 28' ' ' PRO . 1.4 tmt_? 161.17 106.28 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.394 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.561 ' HA ' ' OE1' ' A' ' 38' ' ' GLU . 40.9 Cg_endo -85.44 -151.67 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.228 1.952 . . . . 0.0 110.795 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.31 -75.58 0.47 Allowed 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.395 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -100.72 16.01 26.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.706 -173.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.417 ' O ' ' HB3' ' A' ' 32' ' ' ASP . 5.3 m -89.78 -17.71 27.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.836 -177.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 31' ' ' SER . 14.3 t70 71.36 -59.19 0.55 Allowed 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.739 0.649 . . . . 0.0 111.563 -179.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 31' ' ' SER . 7.5 pt20 -60.72 146.52 45.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.352 177.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -111.33 -178.28 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.718 -177.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.68 -19.93 41.78 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.485 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.54 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 6.7 mp -78.93 151.72 31.54 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.136 0.493 . . . . 0.0 111.197 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.436 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 39.3 m95 -110.72 147.13 35.03 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.221 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.561 ' OE1' ' HA ' ' A' ' 28' ' ' PRO . 11.3 pt-20 -136.3 163.6 30.05 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.553 0.216 . . . . 0.0 110.464 177.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.554 ' HZ ' HD21 ' A' ' 127' ' ' LEU . 96.5 m-85 -80.77 118.39 22.26 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 174.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.06 144.09 30.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.225 -177.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.05 -137.75 4.72 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.53 ' HA3' ' HG3' ' A' ' 57' ' ' GLU . . . 172.86 169.7 35.73 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.15 -1.024 . . . . 0.0 113.143 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -78.02 146.28 35.45 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.414 -0.393 . . . . 0.0 110.326 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.6 t -98.85 125.44 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.154 -175.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -88.79 145.72 35.47 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.71 1.16 2.39 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.548 2.165 . . . . 0.0 112.846 -176.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -106.56 -3.12 21.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.956 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.596 ' HB2' HE21 ' A' ' 52' ' ' GLN . 13.0 pt-20 -131.03 170.87 13.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.117 0.484 . . . . 0.0 111.569 -178.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.2 t -93.12 155.67 17.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.662 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -60.31 -49.35 77.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.857 0.361 . . . . 0.0 110.712 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.492 ' O ' HG21 ' A' ' 55' ' ' VAL . 73.5 mtt180 -62.36 -38.68 90.47 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.176 0.513 . . . . 0.0 110.199 176.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.596 HE21 ' HB2' ' A' ' 48' ' ' GLU . 27.2 tt0 -67.95 -40.05 83.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.381 -174.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.93 94.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.332 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.668 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 28.6 mt -60.23 -47.06 87.55 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.899 0.381 . . . . 0.0 110.773 176.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' ' 51' ' ' ARG . 69.6 t -60.1 -46.93 93.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.335 -177.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -70.92 -39.85 72.46 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.203 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.53 ' HG3' ' HA3' ' A' ' 42' ' ' GLY . 5.1 mm-40 -63.55 -44.58 93.74 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 177.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 39.7 mt -66.31 -31.81 72.84 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.46 -178.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -62.82 -31.89 72.97 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.846 174.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -86.69 -39.85 15.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.225 -178.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.649 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 70.7 mm-40 -92.12 -43.49 9.34 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -176.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.673 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 65.7 mt -106.06 4.57 29.4 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.647 -173.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.28 25.5 26.27 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 114.765 0.666 . . . . 0.0 114.765 -178.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.4 pt -127.35 145.38 34.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 117.98 0.89 . . . . 0.0 111.988 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.526 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 35.4 mt-10 -93.67 95.07 8.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.123 -0.944 . . . . 0.0 108.626 174.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.22 156.97 22.89 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.221 0.534 . . . . 0.0 111.682 -174.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.48 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 55.2 m -114.46 104.02 11.62 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.172 175.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.454 ' HB ' ' HB3' ' A' ' 51' ' ' ARG . 41.4 t -82.95 132.44 31.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.04 -176.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -137.03 -76.8 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.359 -0.924 . . . . 0.0 113.459 -175.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.59 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 15.7 pt-20 -91.06 131.6 36.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.443 0.64 . . . . 0.0 111.835 -172.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.623 ' HE1' ' HB3' ' A' ' 87' ' ' HIS . 11.7 t80 -83.16 134.25 34.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.795 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.478 HG11 HD22 ' A' ' 133' ' ' LEU . 97.0 t -95.17 -69.84 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.708 0.29 . . . . 0.0 111.253 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -158.43 175.26 13.93 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.46 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.448 ' CB ' ' HH ' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -134.8 154.08 51.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.473 176.185 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -143.8 144.58 31.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.73 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.487 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 75.0 mt-30 -113.16 135.15 54.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.138 0.494 . . . . 0.0 111.08 177.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.581 HH11 ' HB1' ' A' ' 122' ' ' ALA . 23.3 ptt180 -138.29 158.36 44.44 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 8.3 pt-20 -104.04 138.04 41.14 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 119.53 -0.868 . . . . 0.0 111.402 -176.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.606 ' HB ' HD12 ' A' ' 84' ' ' ILE . 3.3 p -119.7 95.58 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.641 174.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.9 m 47.41 68.41 0.65 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.864 -178.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 81.59 -14.71 28.69 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 121.009 -0.615 . . . . 0.0 114.553 178.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.496 ' HB2' HG13 ' A' ' 79' ' ' VAL . 89.0 mtt180 -102.28 148.83 24.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.635 0.717 . . . . 0.0 110.075 -178.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.499 HD12 ' HB3' ' A' ' 6' ' ' MET . 2.0 mp -104.56 115.75 47.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 120.781 0.324 . . . . 0.0 110.388 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.646 HG22 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -90.55 138.55 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.061 0.458 . . . . 0.0 110.29 177.871 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -117.61 100.75 7.84 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.62 -177.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.444 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 8.1 mp -88.8 129.96 35.46 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.812 0.339 . . . . 0.0 110.692 -177.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.623 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . 84.3 m-70 -111.46 112.91 24.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.786 178.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.79 117.25 29.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.754 0.311 . . . . 0.0 110.612 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -110.56 141.29 43.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.247 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.59 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 31.3 t-80 -85.99 123.04 30.87 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.9 t -90.02 106.55 14.92 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.812 0.339 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.48 ' HD2' ' O ' ' A' ' 67' ' ' THR . 71.7 Cg_endo -76.75 -27.55 7.19 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.924 2.416 . . . . 0.0 112.578 -177.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.506 ' HA ' HH12 ' A' ' 18' ' ' ARG . 5.1 t70 -159.95 154.62 24.2 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.667 0.27 . . . . 0.0 111.125 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -147.13 142.91 27.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.443 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.526 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 41.4 t60 -98.74 120.44 39.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.842 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.13 -159.71 18.74 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.506 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 32.1 m -121.86 126.96 49.91 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -77.6 120.85 23.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.274 0.559 . . . . 0.0 111.033 -172.38 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.673 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 3.4 pt20 -128.2 170.85 12.52 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.235 -177.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.437 ' HB1' HD11 ' A' ' 106' ' ' LEU . . . -114.08 117.53 31.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.862 0.363 . . . . 0.0 111.338 178.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.622 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 29.9 t-80 -90.49 -77.47 0.4 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.888 -179.053 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.649 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 18.4 mm-40 -83.87 -21.11 32.09 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.433 0.635 . . . . 0.0 110.635 -179.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.519 ' HA ' ' CB ' ' A' ' 27' ' ' ARG . 66.9 m80 -89.67 142.01 28.08 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.263 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -77.43 -56.89 4.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.885 0.374 . . . . 0.0 111.663 -171.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -118.33 154.75 31.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.987 -176.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.518 ' HG ' HD11 ' A' ' 23' ' ' LEU . 1.6 tp -131.55 126.03 33.82 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.77 145.07 35.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.97 0.414 . . . . 0.0 110.637 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.458 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 38.3 p90 -113.3 117.03 30.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.425 0.631 . . . . 0.0 109.452 173.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.765 ' HG ' HD12 ' A' ' 24' ' ' LEU . 24.6 p -137.46 156.86 47.66 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.318 -176.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.5 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 5.1 m -64.64 155.18 82.74 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -177.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.549 ' O ' HD11 ' A' ' 127' ' ' LEU . 3.1 Cg_endo -46.56 -50.63 10.14 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.244 2.63 . . . . 0.0 113.397 -177.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.14 -24.84 62.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.756 0.312 . . . . 0.0 111.372 -176.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.5 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 25.0 mm-40 -73.79 -37.3 65.0 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.77 -34.95 68.1 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.862 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.605 ' HG ' HD12 ' A' ' 127' ' ' LEU . 14.1 mt -76.47 -11.65 59.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.546 -178.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -85.97 -4.94 59.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.275 0.559 . . . . 0.0 109.977 176.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -94.08 160.12 32.85 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.287 176.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.54 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 59.6 Cg_endo -73.14 78.1 2.29 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.827 1.685 . . . . 0.0 111.838 175.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.485 HD12 HD23 ' A' ' 115' ' ' LEU . 71.6 mt -82.74 153.6 25.22 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.307 177.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.634 ' HB3' ' HD2' ' A' ' 121' ' ' PRO . . . -63.37 160.65 39.89 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.634 ' HD2' ' HB3' ' A' ' 120' ' ' ALA . 10.3 Cg_endo -51.8 -37.28 65.28 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.554 2.836 . . . . 0.0 114.19 -173.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.581 ' HB1' HH11 ' A' ' 77' ' ' ARG . . . -92.61 -13.88 28.98 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.87 -177.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.558 ' OD1' ' HB2' ' A' ' 120' ' ' ALA . 1.0 OUTLIER -78.93 -27.11 43.66 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.169 -175.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.637 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 41.5 mm -62.28 -61.97 6.65 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.989 176.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.564 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 10.9 Cg_endo -55.64 -31.9 81.32 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 122.936 2.424 . . . . 0.0 113.348 178.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 70.7 mt -67.59 -40.01 84.8 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-O 121.066 0.46 . . . . 0.0 110.136 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.605 HD12 ' HG ' ' A' ' 115' ' ' LEU . 2.0 tm? -73.72 -37.39 65.15 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.457 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.637 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 36.4 mt-10 -57.39 -40.43 78.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.704 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.39 -26.0 51.38 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.395 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.445 ' HD1' HG12 ' A' ' 72' ' ' VAL . 75.2 t80 -69.91 -45.49 67.44 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.1 ptm -68.93 -33.4 73.66 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.731 175.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.33 -43.22 88.15 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-O 120.901 0.381 . . . . 0.0 110.952 171.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.547 ' HG ' ' HG3' ' A' ' 138' ' ' PRO . 2.7 mp -64.2 -42.49 96.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.685 -179.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -73.13 -21.88 60.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.804 -178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -92.16 -39.71 11.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.643 0.259 . . . . 0.0 111.599 -177.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -89.52 -31.45 17.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.157 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 64.05 101.76 0.04 OUTLIER Pre-proline 0 N--CA 1.465 0.292 0 O-C-N 124.069 0.856 . . . . 0.0 112.011 -178.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.547 ' HG3' ' HG ' ' A' ' 133' ' ' LEU . 73.8 Cg_endo -79.23 132.02 10.06 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 122.121 1.88 . . . . 0.0 111.321 174.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -75.19 -43.91 49.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.206 0.526 . . . . 0.0 110.067 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 30.0 t70 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.787 177.469 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.41 ' HA2' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.888 -0.485 . . . . 0.0 111.888 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.41 ' HD3' ' HA2' ' A' ' 1' ' ' GLY . 4.3 Cg_exo -78.04 25.02 0.52 Allowed 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 123.379 2.719 . . . . 0.0 112.921 -177.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 98.6 mt -79.91 82.41 6.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.233 0.54 . . . . 0.0 110.461 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.06 47.99 0.52 Allowed Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.219 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 p -68.82 -60.94 2.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.078 0.466 . . . . 0.0 111.458 -177.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.8 mmt -93.94 -177.92 4.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.683 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -118.13 142.28 47.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.14 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.8 mtm -100.4 139.31 36.27 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.33 0.586 . . . . 0.0 110.337 173.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.623 ' HB ' HG22 ' A' ' 84' ' ' ILE . 35.0 mt -104.78 114.54 44.66 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 176.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -88.75 126.7 35.45 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -174.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.691 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 87.2 t -130.37 117.35 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.04 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.544 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 3.4 m -97.99 132.72 42.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.498 -178.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.48 126.76 53.84 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -177.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.482 ' HB1' HD23 ' A' ' 54' ' ' LEU . . . -102.04 113.59 26.96 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.258 0.551 . . . . 0.0 109.732 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.437 HG21 ' CG2' ' A' ' 22' ' ' ILE . 7.5 mt -86.4 102.22 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.833 HG13 HD23 ' A' ' 23' ' ' LEU . 2.3 mm -81.37 100.8 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -177.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.688 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . 4.4 tt0 -112.16 108.72 18.08 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 18' ' ' ARG . 4.3 tpt180 -130.72 130.48 43.87 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.067 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 64.0 17.27 10.49 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.629 0.581 . . . . 0.0 110.974 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.26 4.25 66.64 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.702 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 6.3 mmtt -112.4 143.69 43.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.979 0.389 . . . . 0.0 110.48 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.559 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 43.9 mt -104.46 146.33 11.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.863 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.833 HD23 HG13 ' A' ' 16' ' ' ILE . 63.1 tp -89.8 121.62 32.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.227 0.537 . . . . 0.0 111.627 -178.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.488 ' N ' HD13 ' A' ' 24' ' ' LEU . 3.7 mp -112.3 138.78 48.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.109 174.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.06 121.32 31.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.029 0.443 . . . . 0.0 111.574 -176.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.517 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 29.6 tt0 -76.04 100.64 4.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.465 -177.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.581 ' HB3' ' CD2' ' A' ' 103' ' ' HIS . 1.9 tmt_? 159.33 115.64 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.489 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.523 ' HA ' ' OE1' ' A' ' 38' ' ' GLU . 44.5 Cg_endo -85.39 -151.0 0.04 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 122.151 1.901 . . . . 0.0 111.659 -172.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.46 -89.98 0.27 Allowed 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.532 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -116.87 13.67 15.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.97 0.414 . . . . 0.0 110.41 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.2 m -65.25 -29.98 70.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.592 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 64.12 27.67 14.1 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -177.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -115.77 126.11 53.61 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.501 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.02 142.46 28.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.583 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.65 -27.81 9.02 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.962 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.5 mt -80.09 154.13 28.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.906 0.384 . . . . 0.0 110.758 177.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.636 ' HD1' ' HG2' ' A' ' 118' ' ' PRO . 34.2 m95 -118.95 149.84 40.93 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.523 ' OE1' ' HA ' ' A' ' 28' ' ' PRO . 46.4 mt-10 -145.21 165.7 27.59 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 174.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -73.04 143.48 47.48 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.01 153.25 42.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.901 0.382 . . . . 0.0 110.539 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 155.49 -134.0 3.99 Favored Glycine 0 N--CA 1.44 -1.037 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -175.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.499 ' HA3' ' OE2' ' A' ' 57' ' ' GLU . . . 163.71 -154.8 25.87 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 119.745 -1.216 . . . . 0.0 113.445 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.437 ' HE3' HG22 ' A' ' 9' ' ' ILE . 84.4 tttt -105.9 148.69 27.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.829 0.347 . . . . 0.0 110.606 -172.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.2 t -105.95 110.59 31.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.405 ' C ' ' H ' ' A' ' 47' ' ' ASP . 38.4 mt-10 -93.53 152.85 41.23 Favored Pre-proline 0 C--N 1.315 -0.923 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -67.94 19.73 0.13 Allowed 'Trans proline' 0 N--CA 1.478 0.562 0 C-N-CA 123.28 2.654 . . . . 0.0 114.724 -167.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 45' ' ' GLU . 16.1 t70 -119.25 -3.94 10.51 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.925 0.393 . . . . 0.0 110.804 175.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -126.79 165.14 19.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.226 0.536 . . . . 0.0 111.742 -177.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' A' ' 52' ' ' GLN . 31.5 t -88.06 154.93 20.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.534 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -60.32 -47.59 85.36 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.816 0.341 . . . . 0.0 110.865 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.558 ' O ' HG22 ' A' ' 55' ' ' VAL . 86.1 mtm180 -66.46 -41.61 88.81 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 120.998 0.427 . . . . 0.0 109.884 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.415 ' HB3' ' HB3' ' A' ' 49' ' ' SER . 0.4 OUTLIER -69.2 -32.23 71.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.217 -175.883 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -59.8 -48.64 80.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.062 176.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.682 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.8 mt -62.24 -45.99 90.84 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.017 0.437 . . . . 0.0 110.392 177.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 51' ' ' ARG . 76.3 t -56.97 -46.57 83.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.928 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.604 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.8 ppt_? -76.03 -40.41 53.54 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.49 -177.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.499 ' OE2' ' HA3' ' A' ' 42' ' ' GLY . 7.3 mm-40 -59.48 -45.77 90.7 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.633 0.254 . . . . 0.0 111.353 178.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.682 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 23.6 mt -68.64 -33.89 74.78 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 121.194 0.521 . . . . 0.0 109.779 178.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 3.7 ttm180 -60.19 -35.8 76.21 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.037 175.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.604 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 24.9 mt-10 -87.62 -40.02 14.56 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.895 -177.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.62 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 3.1 mm-40 -88.16 -50.39 6.41 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.684 -179.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.696 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 55.0 mt -96.94 5.05 51.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.806 -170.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.88 27.79 30.05 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.205 -0.522 . . . . 0.0 114.367 -176.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.2 pt -129.3 135.78 60.98 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 CA-C-N 117.749 0.774 . . . . 0.0 111.561 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.552 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 27.1 mt-10 -91.6 94.85 9.61 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 176.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.449 ' O ' HG21 ' A' ' 55' ' ' VAL . . . -84.66 161.8 19.96 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.134 -172.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 93' ' ' ASP . 14.3 t -116.13 143.89 44.89 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 172.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.1 t -108.87 119.68 58.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -163.63 56.71 0.28 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 119.419 -1.372 . . . . 0.0 114.318 -174.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.542 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 12.2 pt-20 161.63 106.84 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.092 0.957 . . . . 0.0 109.621 177.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.517 ' HA ' ' CD1' ' A' ' 89' ' ' TRP . 80.9 t80 -80.4 131.14 35.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.803 -175.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 85.0 t -96.99 -71.19 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.525 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -161.86 -178.5 6.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 0.0 111.576 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.1 p -140.49 154.42 46.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.024 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.52 ' CD2' ' HA ' ' A' ' 122' ' ' ALA . 80.2 t60 -144.42 145.79 32.11 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 175.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.41 HE21 HG22 ' A' ' 83' ' ' ILE . 44.8 mt-30 -111.59 141.02 45.72 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.325 0.583 . . . . 0.0 111.559 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.572 ' HD3' ' HB1' ' A' ' 122' ' ' ALA . 33.3 ptt180 -146.5 158.77 43.95 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 106.5 -1.666 . . . . 0.0 106.5 176.04 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -112.89 151.04 30.95 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 119.342 -0.943 . . . . 0.0 111.082 -177.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.571 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.5 p -120.36 93.11 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 170.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.7 m 39.22 76.35 0.06 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.919 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.01 -24.34 9.24 Favored Glycine 0 CA--C 1.517 0.198 0 CA-C-N 115.811 -0.631 . . . . 0.0 114.242 175.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.514 ' HB2' HG13 ' A' ' 79' ' ' VAL . 73.7 mtt85 -93.62 133.61 36.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.455 0.628 . . . . 0.0 110.137 178.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.413 ' N ' HD13 ' A' ' 83' ' ' ILE . 2.1 mp -93.94 113.69 29.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -176.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.623 HG22 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -88.28 129.27 39.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.196 0.522 . . . . 0.0 109.622 179.056 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -111.0 105.3 14.02 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.542 -173.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.691 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.3 mp -93.01 123.07 35.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.102 0.477 . . . . 0.0 111.448 -177.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -106.29 115.3 29.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.995 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -97.73 116.86 30.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.049 0.452 . . . . 0.0 111.064 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.517 ' CD1' ' HA ' ' A' ' 71' ' ' TYR . 1.7 m-90 -117.62 152.13 35.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.374 175.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.688 ' NE2' ' HB3' ' A' ' 17' ' ' GLU . 10.2 t-160 -99.69 127.54 45.81 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 173.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.1 m -90.8 107.83 23.36 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-O 121.149 0.499 . . . . 0.0 110.136 176.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.74 -23.43 19.3 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.581 2.188 . . . . 0.0 112.163 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.403 ' O ' HG22 ' A' ' 67' ' ' THR . 19.7 t70 -150.92 143.99 24.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 -177.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -137.25 167.85 20.77 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.654 177.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.552 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 10.5 t60 -122.75 119.87 31.93 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -177.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.75 -156.8 15.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.24 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 87.4 m -124.32 132.2 53.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -73.99 120.37 19.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.28 0.562 . . . . 0.0 110.936 -174.364 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.696 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 11.0 pt20 -131.18 171.07 13.72 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.565 -178.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -113.75 109.35 18.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.047 0.451 . . . . 0.0 111.415 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.62 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 36.8 t60 -86.46 -67.52 0.81 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.774 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.469 ' HB2' ' CD ' ' A' ' 61' ' ' GLU . 16.7 mt-10 -93.19 -36.99 12.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.356 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.581 ' CD2' ' HB3' ' A' ' 27' ' ' ARG . 67.3 m80 -69.02 144.96 53.92 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 173.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -86.0 -68.27 0.75 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.771 -0.371 . . . . 0.0 111.637 -171.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -110.67 149.2 30.79 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.1 mp -129.64 134.42 47.67 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 120.912 0.387 . . . . 0.0 110.249 -178.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.1 m -127.59 143.66 39.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.596 178.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 7.6 p90 -110.97 117.0 32.16 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.501 173.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 113' ' ' GLU . 29.0 p -142.4 156.12 45.18 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.982 -178.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 m -61.17 156.8 47.53 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.456 ' O ' HD11 ' A' ' 127' ' ' LEU . 1.4 Cg_endo -46.6 -46.37 17.83 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.815 2.343 . . . . 0.0 112.806 177.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.53 -33.03 74.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.48 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.437 ' HA ' ' OE1' ' A' ' 116' ' ' GLN . 19.1 mm-40 -72.66 -35.94 67.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.286 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.07 -38.71 76.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.262 -175.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.718 HD12 HG22 ' A' ' 124' ' ' ILE . 0.2 OUTLIER -72.82 -11.12 60.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.554 0.216 . . . . 0.0 111.324 -175.781 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.437 ' OE1' ' HA ' ' A' ' 113' ' ' GLU . 50.5 mt-30 -82.02 -10.18 59.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.864 0.364 . . . . 0.0 110.758 176.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -93.52 160.44 32.98 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.866 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.636 ' HG2' ' HD1' ' A' ' 37' ' ' TRP . 68.0 Cg_endo -72.35 72.07 2.95 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.201 1.934 . . . . 0.0 111.473 178.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.625 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 76.8 mt -79.87 151.54 30.13 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 176.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.496 ' HB1' ' OD1' ' A' ' 123' ' ' ASP . . . -61.34 155.06 59.86 Favored Pre-proline 0 C--N 1.327 -0.409 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.746 178.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.5 -4.65 4.54 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.082 2.522 . . . . 0.0 112.891 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.575 ' O ' ' HG ' ' A' ' 126' ' ' LEU . . . -99.25 -31.44 11.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.775 0.321 . . . . 0.0 110.44 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.496 ' OD1' ' HB1' ' A' ' 120' ' ' ALA . 1.6 m-20 -79.61 -25.09 41.57 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.676 -175.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.718 HG22 HD12 ' A' ' 115' ' ' LEU . 85.4 mt -61.92 -58.67 16.53 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.17 178.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.482 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 11.4 Cg_endo -57.71 -26.42 73.04 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 122.541 2.161 . . . . 0.0 112.874 176.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 97.3 mt -73.82 -45.59 50.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.099 0.476 . . . . 0.0 109.932 179.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.49 HD12 HD22 ' A' ' 115' ' ' LEU . 3.1 tm? -69.56 -38.16 77.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.75 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -49.6 -45.92 48.56 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.892 175.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.525 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . . . -84.27 -14.28 50.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.65 -178.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -76.43 -46.94 24.87 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.1 ptm -70.15 -29.2 66.05 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.588 175.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.525 ' HB2' ' HA ' ' A' ' 129' ' ' ALA . . . -64.38 -40.17 95.29 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 120.677 0.275 . . . . 0.0 110.834 171.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.56 -39.36 84.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.553 -177.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.431 ' HD2' ' OE2' ' A' ' 17' ' ' GLU . 19.2 mtp180 -70.52 -24.32 62.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.406 178.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.12 -35.3 15.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.78 -177.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -95.8 -40.02 9.55 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? 59.29 85.22 0.19 Allowed Pre-proline 0 N--CA 1.465 0.311 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.21 -176.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.25 174.85 12.12 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.826 2.351 . . . . 0.0 111.961 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -107.96 -75.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.289 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--O 1.245 0.866 0 CA-C-O 118.886 -0.578 . . . . 0.0 109.869 177.382 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.79 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -65.32 157.78 56.03 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.85 2.367 . . . . 0.0 112.05 178.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.1 tp -81.06 77.44 7.96 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.452 0.644 . . . . 0.0 110.889 -177.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.56 54.83 0.5 Allowed Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.168 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 t -83.02 81.98 8.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.242 0.544 . . . . 0.0 111.133 -174.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.6 mtp -95.43 52.66 1.41 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 171.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -67.39 157.92 32.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.072 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.2 mtt -95.29 134.25 38.27 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.838 176.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.516 HD11 HG13 ' A' ' 79' ' ' VAL . 19.7 mt -104.97 110.31 30.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 177.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -95.27 125.19 39.73 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 120.259 -0.576 . . . . 0.0 109.525 -173.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 98.8 t -127.86 125.66 65.34 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.432 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 2.7 m -98.54 130.25 47.65 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.4 125.21 52.16 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 -176.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.501 ' HB3' HD21 ' A' ' 54' ' ' LEU . . . -100.85 113.13 25.79 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.352 -177.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.446 HG12 ' CD1' ' A' ' 39' ' ' PHE . 6.3 mt -91.45 100.04 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.238 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.885 HG13 HD21 ' A' ' 23' ' ' LEU . 2.6 mm -84.19 101.36 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.586 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . 5.2 tm-20 -119.52 120.91 38.14 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -176.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -148.36 137.51 21.88 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.383 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 66.95 17.46 10.52 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.415 0.447 . . . . 0.0 111.221 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.4 10.98 72.88 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.569 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.514 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -119.18 149.55 41.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 117.06 0.43 . . . . 0.0 110.358 176.526 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.439 ' CG2' HG21 ' A' ' 15' ' ' ILE . 41.0 mt -107.51 139.77 28.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.108 177.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.885 HD21 HG13 ' A' ' 16' ' ' ILE . 41.3 tp -77.24 114.98 16.64 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.276 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.586 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 22.9 mt -109.54 136.24 49.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.9 173.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.417 ' HB1' ' CB ' ' A' ' 103' ' ' HIS . . . -118.19 120.37 37.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.994 -177.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.559 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -73.45 105.81 4.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.733 -177.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.559 ' HB2' ' O ' ' A' ' 26' ' ' GLN . 3.8 tmt_? 167.37 103.39 0.03 OUTLIER Pre-proline 0 C--O 1.221 -0.422 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 174.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.407 ' HB2' ' H ' ' A' ' 29' ' ' ALA . 53.9 Cg_endo -86.56 -153.42 0.04 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 122.149 1.899 . . . . 0.0 111.618 -172.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' H ' ' HB2' ' A' ' 28' ' ' PRO . . . -89.83 -82.76 0.26 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.658 -175.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -116.01 18.26 15.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.0 0.428 . . . . 0.0 110.822 -175.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.7 m -96.49 107.83 20.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.515 -174.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -72.69 0.21 11.35 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.088 0.471 . . . . 0.0 111.105 178.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -77.95 -25.53 48.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.939 -175.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 59.21 -168.56 0.15 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.407 -177.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.7 -26.48 5.25 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 121.139 -0.553 . . . . 0.0 113.194 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.462 ' HA ' ' HG2' ' A' ' 118' ' ' PRO . 17.8 mt -77.32 147.23 36.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.709 0.29 . . . . 0.0 111.183 -177.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.586 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 39.4 m95 -116.43 153.25 32.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -153.11 175.73 12.69 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.446 ' CD1' HG12 ' A' ' 15' ' ' ILE . 89.7 m-85 -83.38 150.01 26.35 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.52 161.92 27.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.92 -134.48 4.73 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.56 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.544 ' HA3' ' OE2' ' A' ' 57' ' ' GLU . . . 163.25 -179.55 38.35 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.21 -0.995 . . . . 0.0 113.121 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -80.27 148.69 30.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.936 0.398 . . . . 0.0 110.527 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.4 t -102.0 124.99 56.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.673 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -82.48 147.87 57.29 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 175.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.29 -5.29 5.02 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 122.755 2.303 . . . . 0.0 113.28 -177.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -106.87 5.23 28.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.616 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -135.36 155.63 50.27 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 177.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.6 t -90.31 166.85 13.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.773 0.321 . . . . 0.0 110.655 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -60.45 -43.24 97.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.34 -176.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -64.66 -42.75 95.19 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.391 0.615 . . . . 0.0 109.783 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -65.31 -41.42 94.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.646 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.15 -45.84 91.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.674 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.692 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 37.5 mt -60.63 -47.13 87.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.889 0.376 . . . . 0.0 110.717 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 65.2 t -59.11 -48.64 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.226 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.547 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 5.6 ppt_? -70.32 -41.76 72.85 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.364 -177.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.544 ' OE2' ' HA3' ' A' ' 42' ' ' GLY . 5.1 mm-40 -60.4 -47.27 86.82 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 31.5 mt -66.96 -33.33 75.35 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.081 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -61.2 -35.74 78.01 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.204 175.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 23.9 mt-10 -86.88 -36.71 18.26 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.275 -177.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.55 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 4.2 mt-10 -86.24 -53.99 4.71 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.644 179.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.696 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 50.5 mt -99.16 2.92 46.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.187 -168.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 50.39 30.15 18.2 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 114.403 0.521 . . . . 0.0 114.403 -174.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.568 HG12 ' HB2' ' A' ' 62' ' ' LEU . 42.8 pt -121.27 142.73 36.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 117.793 0.797 . . . . 0.0 111.449 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -96.41 98.28 10.13 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.358 174.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.609 ' HB1' ' HH2' ' A' ' 89' ' ' TRP . . . -88.33 156.47 19.15 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.191 0.52 . . . . 0.0 112.04 -173.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.8 m -112.79 113.77 26.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.305 176.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.9 t -89.32 133.05 32.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.404 0.145 . . . . 0.0 110.848 -176.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.413 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . 175.16 62.06 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.707 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 70' ' ' GLU . 11.2 pt-20 155.09 99.24 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.519 1.127 . . . . 0.0 109.766 -178.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.492 ' CD1' ' HB2' ' A' ' 89' ' ' TRP . 46.8 m-85 -95.95 146.11 24.87 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.908 -0.495 . . . . 0.0 111.0 -178.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.427 HG13 HD11 ' A' ' 133' ' ' LEU . 61.8 t -93.15 -69.65 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.888 -175.143 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -155.48 172.7 17.8 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.343 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.1 m -130.91 150.92 51.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.387 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -145.1 148.75 33.99 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -110.83 140.69 45.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.041 0.448 . . . . 0.0 111.285 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.732 HH11 ' HB1' ' A' ' 122' ' ' ALA . 27.9 ptt180 -144.51 167.31 22.8 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 174.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -120.59 149.74 41.98 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 119.118 -1.033 . . . . 0.0 111.952 -179.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.573 ' HB ' HD12 ' A' ' 84' ' ' ILE . 2.6 p -121.99 95.96 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.177 -0.92 . . . . 0.0 108.899 173.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.5 p 43.97 71.87 0.22 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.156 -176.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.38 -22.64 8.34 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 120.97 -0.633 . . . . 0.0 114.388 176.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.518 ' HB2' HG12 ' A' ' 79' ' ' VAL . 72.1 mtt85 -93.95 137.86 32.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 117.523 0.662 . . . . 0.0 110.225 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mp -95.35 114.91 33.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.14 0.495 . . . . 0.0 110.494 -176.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.573 HD12 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -89.48 128.4 41.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.352 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -108.86 106.56 16.6 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.713 -177.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.543 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.5 mp -99.87 128.46 45.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.654 0.264 . . . . 0.0 110.698 -179.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -119.64 116.92 26.98 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 175.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.58 133.58 34.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.924 0.392 . . . . 0.0 111.067 -178.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.609 ' HH2' ' HB1' ' A' ' 66' ' ' ALA . 6.9 t90 -129.66 135.8 48.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.541 -178.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.586 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 35.8 t-80 -92.83 132.41 37.01 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.671 HG13 ' HA ' ' A' ' 16' ' ' ILE . 7.4 p -89.14 110.91 41.75 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-O 121.486 0.66 . . . . 0.0 111.46 -175.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.432 ' HB3' ' OE2' ' A' ' 70' ' ' GLU . 56.3 Cg_endo -73.95 -28.47 11.15 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.596 2.197 . . . . 0.0 111.926 177.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -158.19 142.23 15.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.734 -178.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.432 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 38.5 p90 -146.54 141.18 26.75 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.815 176.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -110.09 119.69 40.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.541 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 131.19 -167.08 22.57 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.269 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.7 m -119.69 122.31 41.21 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.574 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -76.41 124.12 27.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.695 0.76 . . . . 0.0 111.299 -172.165 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.696 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 12.3 pt20 -132.0 169.61 16.09 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.367 -177.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 103' ' ' HIS . . . -111.24 119.61 39.51 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.879 0.371 . . . . 0.0 111.086 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -110.19 -56.85 2.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.511 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.55 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 47.1 mm-40 -83.16 -45.63 13.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.676 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.537 ' CD2' ' HB3' ' A' ' 27' ' ' ARG . 75.2 m80 -80.9 163.42 23.38 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 171.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -87.02 -65.57 1.0 Allowed 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -171.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.68 164.76 20.57 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 122.323 -0.235 . . . . 0.0 111.266 -175.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.478 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.8 mm? -119.52 139.78 51.57 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.0 p -132.23 140.61 47.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.669 0.271 . . . . 0.0 110.658 171.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -99.92 111.04 23.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.877 0.37 . . . . 0.0 110.639 176.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 12.8 p -129.22 148.15 51.13 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.382 177.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.544 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 2.7 m -60.7 160.44 19.54 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.517 -179.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.619 ' O ' HD12 ' A' ' 127' ' ' LEU . 5.1 Cg_endo -47.97 -54.49 5.13 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.866 2.377 . . . . 0.0 112.815 177.133 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.55 -27.19 65.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.723 0.297 . . . . 0.0 111.373 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.544 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 70.2 mm-40 -73.21 -35.31 66.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.19 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.61 -38.68 85.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.772 -177.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.608 HD13 HG23 ' A' ' 124' ' ' ILE . 0.2 OUTLIER -73.33 -14.03 61.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.105 0.478 . . . . 0.0 110.572 -177.332 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -83.52 -11.79 57.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.199 0.523 . . . . 0.0 110.119 175.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -87.15 162.35 43.73 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.543 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.462 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 58.3 Cg_endo -72.58 79.07 1.93 Allowed 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 121.927 1.751 . . . . 0.0 112.167 177.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 73.0 mt -86.66 153.88 21.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.608 177.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.492 ' HB1' ' OD1' ' A' ' 123' ' ' ASP . . . -65.72 155.77 85.09 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.751 178.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 120' ' ' ALA . 9.7 Cg_endo -52.8 -30.03 45.28 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.524 2.816 . . . . 0.0 114.247 -175.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.732 ' HB1' HH11 ' A' ' 77' ' ' ARG . . . -93.02 -18.03 23.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.975 0.417 . . . . 0.0 111.117 -178.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.492 ' OD1' ' HB1' ' A' ' 120' ' ' ALA . 1.2 m-20 -81.69 -24.1 36.43 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.483 -176.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.608 HG23 HD13 ' A' ' 115' ' ' LEU . 77.2 mt -61.21 -59.61 13.18 Favored Pre-proline 0 CA--C 1.54 0.592 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.846 176.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.5 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 10.3 Cg_endo -53.6 -30.7 56.35 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.925 2.417 . . . . 0.0 113.119 177.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 98.6 mt -71.19 -46.85 60.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.132 0.491 . . . . 0.0 110.178 -178.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.619 HD12 ' O ' ' A' ' 111' ' ' PRO . 3.3 tm? -72.15 -37.79 69.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.086 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.57 -40.37 65.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.137 177.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.427 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . . . -79.73 -26.02 40.92 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 120.554 -0.459 . . . . 0.0 111.273 177.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.465 ' HB3' HD22 ' A' ' 127' ' ' LEU . 86.8 t80 -65.95 -45.83 80.35 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 15.4 ptp -69.46 -37.42 77.32 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.988 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.427 ' HB2' ' HA ' ' A' ' 129' ' ' ALA . . . -58.48 -44.18 89.27 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.077 0.465 . . . . 0.0 111.432 177.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.427 HD11 HG13 ' A' ' 72' ' ' VAL . 45.1 mt -64.49 -45.4 87.5 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.032 -177.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 36.7 mtp85 -75.88 -16.9 59.97 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.763 -177.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.96 -38.29 12.35 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 177.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -92.48 -21.43 20.16 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -175.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' ' 137' ' ' ARG . 13.2 ptm180 39.72 75.85 0.54 Allowed Pre-proline 0 N--CA 1.473 0.685 0 C-N-CA 123.99 0.916 . . . . 0.0 112.464 -178.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -64.74 142.48 76.77 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.481 2.121 . . . . 0.0 112.381 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.2 -61.23 2.38 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.472 177.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.303 -0.856 . . . . 0.0 109.465 175.434 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.87 -4.61 15.41 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.836 2.357 . . . . 0.0 112.736 -177.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -94.37 125.47 39.03 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 177.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.48 47.16 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.552 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 m -121.43 128.7 52.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.633 0.254 . . . . 0.0 110.556 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.478 ' O ' ' HG3' ' A' ' 6' ' ' MET . 26.3 ptt? -158.1 94.46 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.83 0.824 . . . . 0.0 110.116 175.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -88.56 158.98 18.12 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.107 178.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.451 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 70.3 mtm -102.43 138.12 39.77 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.385 0.612 . . . . 0.0 111.185 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.646 ' HB ' HG21 ' A' ' 84' ' ' ILE . 42.1 mt -112.75 117.93 56.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 114.704 -1.135 . . . . 0.0 108.294 178.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -92.62 124.64 36.79 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -175.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.582 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 57.9 t -125.49 128.02 72.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -179.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.471 ' HB ' HD21 ' A' ' 54' ' ' LEU . 3.1 m -106.96 128.95 61.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.301 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.39 124.1 51.66 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.86 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.488 ' HB2' HD23 ' A' ' 54' ' ' LEU . . . -101.82 112.77 25.49 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.443 -177.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.444 HG22 ' CG2' ' A' ' 22' ' ' ILE . 7.5 mt -92.79 100.25 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.14 177.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.749 HD12 HG22 ' A' ' 91' ' ' VAL . 1.2 mm -81.37 101.78 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . 6.1 tm-20 -123.35 124.02 42.02 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.182 0.515 . . . . 0.0 109.697 -174.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -145.46 137.71 25.68 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.376 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 67.99 2.63 3.22 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.645 0.59 . . . . 0.0 112.183 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.98 10.02 40.99 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.288 -0.958 . . . . 0.0 112.134 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -123.14 144.97 48.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.817 0.341 . . . . 0.0 110.184 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.444 ' CG2' HG22 ' A' ' 15' ' ' ILE . 35.3 mt -106.51 149.07 10.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.886 -175.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.618 ' HB2' ' HB ' ' A' ' 16' ' ' ILE . 1.4 tt -85.74 120.06 26.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.29 178.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.479 HD11 ' SG ' ' A' ' 109' ' ' CYS . 7.3 mp -118.01 134.28 55.12 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.907 175.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.91 126.36 53.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.475 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.407 ' O ' ' HB3' ' A' ' 27' ' ' ARG . 29.5 tt0 -79.38 145.6 33.29 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 175.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 26' ' ' GLN . 3.1 tmt_? 83.14 108.08 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 O-C-N 124.652 1.22 . . . . 0.0 108.515 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.433 ' CG ' ' HB2' ' A' ' 31' ' ' SER . 45.9 Cg_endo -85.72 -151.92 0.04 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.242 2.628 . . . . 0.0 112.109 -169.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.4 -59.58 2.0 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -176.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -93.99 -9.77 35.83 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -175.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.433 ' HB2' ' CG ' ' A' ' 28' ' ' PRO . 50.9 m -99.27 134.7 41.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.94 0.4 . . . . 0.0 110.923 -178.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -91.39 3.1 55.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.567 0.699 . . . . 0.0 110.947 -177.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.28 138.0 34.52 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.113 -177.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.8 173.98 6.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.486 -172.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.92 -25.81 12.86 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.543 177.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' A' ' 118' ' ' PRO . 17.3 mt -76.66 150.78 36.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.783 0.325 . . . . 0.0 111.299 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.464 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 50.1 m95 -115.35 148.79 38.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.363 176.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -140.73 163.61 32.43 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 175.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.454 ' HZ ' HD23 ' A' ' 127' ' ' LEU . 68.7 m-85 -76.24 159.18 30.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 174.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.465 ' CB ' HD12 ' A' ' 62' ' ' LEU . . . -82.21 164.88 20.92 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.316 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.15 -133.09 5.49 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.578 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' HG12 ' A' ' 11' ' ' VAL . . . 160.16 -146.23 12.34 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.525 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.54 ' HG2' ' N ' ' A' ' 44' ' ' VAL . 54.7 tttt -111.36 153.99 25.22 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.931 0.396 . . . . 0.0 110.316 -175.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.54 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 38.3 t -106.77 106.29 20.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.256 177.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -68.12 150.1 97.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 176.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -60.85 0.93 0.66 Allowed 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 123.072 2.515 . . . . 0.0 114.595 -172.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -108.91 -15.48 14.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.992 0.425 . . . . 0.0 111.946 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -108.52 159.73 16.47 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.962 -176.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.5 t -93.47 165.05 12.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.422 -178.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -59.19 -55.07 39.65 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 122.401 0.28 . . . . 0.0 111.154 -178.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.494 ' HG2' HG11 ' A' ' 68' ' ' VAL . 76.5 mtt180 -62.56 -36.78 83.74 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.382 -179.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.433 HE21 ' HB2' ' A' ' 52' ' ' GLN . 1.5 tt0 -67.99 -40.67 83.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.207 -178.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.07 -48.25 81.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.83 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.583 ' O ' HD12 ' A' ' 58' ' ' LEU . 28.1 mt -61.75 -44.34 97.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.68 0.276 . . . . 0.0 110.736 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.23 -45.98 97.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.241 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.628 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.0 ppt_? -75.05 -40.11 60.56 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.649 -176.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.12 -53.75 54.8 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.638 0.256 . . . . 0.0 111.385 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 54' ' ' LEU . 9.2 mp -59.14 -35.49 73.58 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-O 120.651 0.262 . . . . 0.0 111.12 176.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -61.84 -33.75 74.73 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.724 0.297 . . . . 0.0 111.065 176.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.628 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 29.1 mt-10 -87.71 -41.04 13.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.896 0.379 . . . . 0.0 111.002 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.489 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 81.8 mm-40 -87.88 -49.7 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -176.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.668 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 65.2 mt -99.85 3.78 44.83 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.815 -173.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.32 25.47 26.43 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 121.203 -0.522 . . . . 0.0 114.383 -175.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.536 HG12 ' HB2' ' A' ' 62' ' ' LEU . 42.8 pt -119.23 144.47 27.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 117.763 0.781 . . . . 0.0 111.763 -178.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -100.81 101.15 11.93 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.482 174.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.542 ' HA ' ' HA ' ' A' ' 94' ' ' PHE . . . -96.44 157.92 15.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.595 -170.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.5 m -110.44 111.0 21.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.293 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.533 ' HA ' ' CE2' ' A' ' 89' ' ' TRP . 33.9 t -84.84 140.17 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 -175.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.15 -73.51 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.775 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -92.54 121.55 34.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.366 0.603 . . . . 0.0 112.28 -172.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -92.57 146.44 23.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.714 177.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.0 t -93.59 -68.46 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.945 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.1 176.48 9.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.745 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.9 m -142.5 143.68 32.65 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -137.43 137.86 39.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.536 -173.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -110.0 145.52 36.85 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.427 0.632 . . . . 0.0 111.262 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.561 ' HG3' HG13 ' A' ' 84' ' ' ILE . 35.3 ptt180 -155.69 175.35 14.03 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 176.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -120.02 150.95 39.73 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.461 -0.895 . . . . 0.0 111.891 177.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.587 ' HB ' HD13 ' A' ' 84' ' ' ILE . 2.6 p -122.05 96.19 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 171.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.9 p 46.52 71.02 0.33 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.955 -175.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.31 -23.03 6.54 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.761 -0.733 . . . . 0.0 114.466 175.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -95.51 137.25 34.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.516 0.658 . . . . 0.0 110.334 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 8' ' ' MET . 2.1 mp -94.54 116.68 36.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.944 0.402 . . . . 0.0 110.593 -174.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.646 HG21 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -92.24 135.81 26.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.262 0.553 . . . . 0.0 110.712 178.381 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -117.89 102.14 8.85 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.622 -176.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.582 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.5 mp -93.92 130.52 39.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.837 0.351 . . . . 0.0 111.153 -176.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -111.58 114.73 27.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.455 177.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -91.56 118.42 30.59 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.698 0.285 . . . . 0.0 110.536 178.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.533 ' CE2' ' HA ' ' A' ' 68' ' ' VAL . 4.2 t90 -113.73 132.83 55.67 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.722 -178.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.543 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 13.7 t-80 -87.63 125.78 34.57 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 176.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.749 HG22 HD12 ' A' ' 16' ' ' ILE . 24.1 t -87.28 107.87 16.79 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-O 120.825 0.345 . . . . 0.0 110.274 -174.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.543 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 91.0 Cg_endo -82.32 -21.02 5.65 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.693 2.262 . . . . 0.0 111.816 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -158.19 137.68 11.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.536 -176.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.542 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 28.9 p90 -149.99 140.08 22.07 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.826 177.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -113.33 138.5 49.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.535 -177.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.44 -161.65 13.26 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 -177.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.8 m -123.96 129.0 50.24 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 117.101 0.451 . . . . 0.0 109.912 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.509 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -78.89 122.43 26.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.571 0.7 . . . . 0.0 111.077 -175.192 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.668 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.6 pt20 -134.95 168.67 18.66 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.515 -1.221 . . . . 0.0 108.899 -177.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -107.93 123.56 48.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.896 0.379 . . . . 0.0 111.65 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.489 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 19.9 t-80 -95.55 -70.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.267 176.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.404 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 14.4 mm-40 -80.41 -34.54 36.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.452 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -81.44 166.47 20.34 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -83.0 -68.81 0.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.843 0.354 . . . . 0.0 111.546 -174.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -136.65 166.28 23.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.632 -176.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.411 HD11 HD21 ' A' ' 23' ' ' LEU . 1.5 mm? -116.13 140.12 49.62 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.8 p -130.62 139.18 51.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 173.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -101.14 114.43 28.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.157 175.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.479 ' SG ' HD11 ' A' ' 24' ' ' LEU . 25.2 p -135.6 152.45 51.26 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.119 177.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.529 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 15.1 m -71.88 161.88 76.35 Favored Pre-proline 0 C--N 1.319 -0.717 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.33 -176.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' A' ' 110' ' ' SER . 5.1 Cg_endo -47.35 -53.26 6.66 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.234 2.623 . . . . 0.0 113.852 -176.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.37 -24.22 63.85 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.288 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.457 ' O ' ' HD1' ' A' ' 117' ' ' TYR . 52.1 mm-40 -72.15 -42.92 65.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.739 174.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.05 81.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.18 -173.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.519 HD21 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -76.39 -7.98 56.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.991 0.424 . . . . 0.0 110.765 -176.873 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -93.47 -1.7 55.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.089 0.471 . . . . 0.0 110.194 173.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.457 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 34.2 m-85 -94.71 158.85 34.62 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.607 176.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.427 ' HB2' HD21 ' A' ' 36' ' ' LEU . 57.0 Cg_endo -71.65 76.01 1.99 Allowed 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.187 1.925 . . . . 0.0 112.125 178.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.464 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 70.5 mt -81.34 152.72 27.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.12 176.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.501 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -62.44 153.5 76.44 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.316 176.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -56.87 -19.16 30.51 Favored 'Trans proline' 0 CA--C 1.534 0.522 0 C-N-CA 123.004 2.469 . . . . 0.0 113.676 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.407 ' HB3' HD22 ' A' ' 86' ' ' LEU . . . -90.39 -23.91 20.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.714 0.293 . . . . 0.0 110.878 178.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.501 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.1 m-20 -81.59 -22.59 37.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.576 -175.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.453 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 48.2 mm -61.86 -59.58 12.81 Favored Pre-proline 0 CA--C 1.537 0.475 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.066 -177.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.453 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 19.7 Cg_endo -59.67 -25.69 79.81 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.455 2.103 . . . . 0.0 112.677 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 91.3 mt -76.15 -45.8 31.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.833 0.349 . . . . 0.0 110.297 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.527 HD11 ' O ' ' A' ' 127' ' ' LEU . 2.9 tm? -71.42 -35.62 71.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.776 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -49.99 -47.8 52.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 175.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.492 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -79.8 -15.21 57.88 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.728 -178.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -76.25 -47.85 22.36 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.6 ptm -67.78 -35.78 79.28 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.676 175.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -57.48 -43.88 84.44 Favored 'General case' 0 C--N 1.338 0.101 0 CA-C-O 120.93 0.395 . . . . 0.0 111.148 170.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' A' ' 137' ' ' ARG . 1.1 tp -66.24 -32.48 73.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.211 -176.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -85.5 -18.61 32.98 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.644 -0.423 . . . . 0.0 111.643 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.16 -39.14 12.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.977 0.418 . . . . 0.0 110.706 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -86.72 -27.15 23.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.097 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.438 ' HA ' ' O ' ' A' ' 133' ' ' LEU . 34.4 ptt180 46.49 95.78 0.04 OUTLIER Pre-proline 0 N--CA 1.471 0.607 0 C-N-CA 125.039 1.336 . . . . 0.0 113.522 178.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 137' ' ' ARG . 59.2 Cg_endo -71.81 125.55 11.16 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.3 2.0 . . . . 0.0 110.758 173.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.85 -69.17 0.32 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.82 0.343 . . . . 0.0 111.414 -175.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 C--O 1.252 1.208 0 CA-C-O 118.404 -0.807 . . . . 0.0 109.774 178.947 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 111.992 -0.443 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.577 ' HG2' HD23 ' A' ' 3' ' ' LEU . 50.3 Cg_endo -71.81 -36.13 6.63 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.455 2.104 . . . . 0.0 112.231 -179.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.577 HD23 ' HG2' ' A' ' 2' ' ' PRO . 3.2 mm? -85.4 -70.17 0.61 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.092 0.472 . . . . 0.0 110.347 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.81 19.41 57.97 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.113 -176.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 m -69.26 96.11 0.82 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.051 0.453 . . . . 0.0 110.066 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.463 ' HB3' HD13 ' A' ' 83' ' ' ILE . 59.1 mtm -126.11 123.22 37.84 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.07 -176.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -92.98 160.78 14.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.883 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.414 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 62.4 mtt -109.06 139.52 43.84 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.731 0.777 . . . . 0.0 112.286 -172.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.563 ' HB ' HG22 ' A' ' 84' ' ' ILE . 24.1 mt -108.5 116.69 52.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 114.268 -1.333 . . . . 0.0 107.729 173.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -94.37 123.77 37.98 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 -171.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.626 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 97.1 t -132.08 123.64 51.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.206 0.527 . . . . 0.0 109.758 -178.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.47 ' HB ' HD23 ' A' ' 54' ' ' LEU . 3.9 m -99.11 133.95 39.89 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.953 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.404 ' O ' ' HA ' ' A' ' 88' ' ' ALA . . . -119.54 131.46 55.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.138 0.494 . . . . 0.0 110.816 -174.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.498 ' HA ' ' CD1' ' A' ' 89' ' ' TRP . . . -102.54 121.1 41.69 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.163 -176.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.42 HG21 ' CG2' ' A' ' 22' ' ' ILE . 5.4 mt -98.24 100.41 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.787 HG13 HD21 ' A' ' 23' ' ' LEU . 1.2 mm -83.47 101.99 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 -178.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . 4.5 tm-20 -112.84 121.02 43.45 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -176.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.675 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -147.51 137.12 22.72 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 175.69 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 65.04 19.78 11.91 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.395 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.45 9.33 79.33 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.864 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -121.15 145.27 47.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.916 0.388 . . . . 0.0 110.559 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.42 ' CG2' HG21 ' A' ' 15' ' ' ILE . 26.4 mt -105.25 149.64 8.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.26 -178.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.787 HD21 HG13 ' A' ' 16' ' ' ILE . 57.2 tp -88.31 118.06 27.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.072 0.463 . . . . 0.0 111.2 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 mp -112.7 139.02 48.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.686 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.42 ' HB3' ' CB ' ' A' ' 103' ' ' HIS . . . -119.98 120.03 35.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.96 0.41 . . . . 0.0 111.137 -178.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -70.15 113.21 7.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.825 -176.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.525 ' HB3' ' CD2' ' A' ' 103' ' ' HIS . 1.0 OUTLIER 176.84 115.42 0.14 Allowed Pre-proline 0 C--O 1.219 -0.507 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 176.292 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.617 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 64.4 Cg_endo -75.52 -30.86 6.05 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.018 1.812 . . . . 0.0 112.263 -178.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 65.15 -77.33 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.834 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -96.53 8.81 43.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.44 -174.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.617 ' HB2' ' HB2' ' A' ' 28' ' ' PRO . 57.4 m -115.13 -27.45 7.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.89 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 61.78 12.36 4.65 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -101.04 101.11 11.81 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 177.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.69 139.0 58.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.268 -176.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.24 -21.54 13.04 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.296 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.472 ' HA ' ' HG2' ' A' ' 118' ' ' PRO . 5.2 mp -76.55 148.21 37.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.975 0.417 . . . . 0.0 111.314 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.476 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 48.2 m95 -115.64 149.55 38.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.916 -177.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -142.67 165.23 27.97 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -79.36 147.37 32.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.91 0.386 . . . . 0.0 109.986 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.419 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -73.08 162.7 29.14 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.569 -178.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.12 -139.83 7.32 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.482 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.94 173.8 38.98 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.178 -1.011 . . . . 0.0 113.361 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.669 ' HZ3' ' HB3' ' A' ' 43' ' ' LYS . 3.7 ttpm? -81.14 149.54 29.09 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.383 -0.408 . . . . 0.0 110.001 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.9 t -100.41 119.93 49.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.565 -177.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -73.8 145.63 84.43 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.09 0.03 3.63 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.793 2.329 . . . . 0.0 113.483 -175.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -111.55 -1.07 15.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.259 0.552 . . . . 0.0 111.271 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -119.33 162.17 19.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.631 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 t -93.97 165.62 12.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.348 -178.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -61.52 -53.5 55.59 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.483 0.182 . . . . 0.0 111.036 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.413 ' O ' HG21 ' A' ' 55' ' ' VAL . 92.4 mtt180 -58.89 -38.69 79.42 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.391 0.615 . . . . 0.0 109.99 177.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -68.31 -42.76 78.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.463 -175.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.89 97.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.337 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.718 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 26.1 mt -60.37 -49.11 78.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 0.0 110.613 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.413 HG21 ' O ' ' A' ' 51' ' ' ARG . 61.0 t -60.54 -44.68 97.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.429 -176.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.597 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.7 ppt_? -75.14 -41.84 57.48 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.963 -177.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.69 -40.97 96.88 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 111.469 0.174 . . . . 0.0 111.469 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 52.9 mt -69.46 -31.08 69.16 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.525 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 59' ' ' ARG . 19.8 ttt85 -64.16 -35.23 80.09 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.7 174.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.597 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 35.8 mt-10 -81.23 -41.19 22.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -177.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.558 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 71.9 mm-40 -90.45 -46.73 8.16 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -177.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.636 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 58.9 mt -103.32 1.17 32.43 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -173.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 47.65 33.73 9.38 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 115.045 0.778 . . . . 0.0 115.045 -173.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.422 HG12 ' HB2' ' A' ' 62' ' ' LEU . 31.4 pt -123.72 146.37 29.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 118.304 1.052 . . . . 0.0 111.88 178.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.573 ' HB2' ' HB2' ' A' ' 95' ' ' HIS . 44.1 mt-10 -93.71 98.63 11.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.112 176.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.72 150.21 24.33 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.135 0.493 . . . . 0.0 111.936 -173.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.3 m -113.02 106.86 15.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.327 174.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.817 ' HA ' ' CZ3' ' A' ' 89' ' ' TRP . 23.2 t -86.86 130.85 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.048 -174.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . -177.48 62.65 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.021 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' A' ' 70' ' ' GLU . 9.8 pt-20 151.24 111.24 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.808 1.243 . . . . 0.0 109.65 -175.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.754 ' HB3' ' HE1' ' A' ' 87' ' ' HIS . 52.7 m-85 -99.4 149.17 23.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.752 -0.593 . . . . 0.0 110.964 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.9 t -96.09 -70.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.791 0.329 . . . . 0.0 111.443 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.47 178.09 10.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.027 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.0 m -135.61 149.99 49.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.872 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -145.26 146.9 31.87 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 177.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -117.91 143.6 46.19 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.444 0.64 . . . . 0.0 111.604 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.586 HH11 ' HB2' ' A' ' 122' ' ' ALA . 18.3 ptt180 -146.11 159.99 42.53 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 176.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -107.26 147.64 29.96 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 119.044 -1.063 . . . . 0.0 111.505 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.562 ' HB ' HD13 ' A' ' 84' ' ' ILE . 2.7 p -120.34 93.87 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 115.166 -0.924 . . . . 0.0 108.568 171.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.2 t 47.6 74.31 0.17 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.567 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.03 -8.68 29.34 Favored Glycine 0 CA--C 1.523 0.574 0 C-N-CA 120.984 -0.627 . . . . 0.0 114.657 175.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -110.51 140.27 44.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 117.564 0.682 . . . . 0.0 109.804 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.463 HD13 ' HB3' ' A' ' 6' ' ' MET . 1.8 mp -99.11 116.39 42.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 120.912 0.387 . . . . 0.0 110.229 -175.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.563 HG22 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -87.12 129.56 38.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.157 0.503 . . . . 0.0 109.903 175.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -108.62 101.86 10.97 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.242 -175.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.626 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 8.3 mp -94.78 123.71 38.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.699 0.285 . . . . 0.0 110.691 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.754 ' HE1' ' HB3' ' A' ' 71' ' ' TYR . 10.0 t-80 -115.24 113.18 23.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.091 178.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 13' ' ' ALA . . . -89.92 144.71 25.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.931 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.817 ' CZ3' ' HA ' ' A' ' 68' ' ' VAL . 9.7 p-90 -139.31 150.8 45.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.716 176.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.5 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 44.1 t-80 -90.07 133.25 34.96 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 176.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.76 HG21 HD11 ' A' ' 16' ' ' ILE . 31.5 t -89.38 107.31 17.51 Favored Pre-proline 0 C--N 1.32 -0.711 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -177.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.5 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 73.9 Cg_endo -78.73 -28.65 4.03 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.512 2.141 . . . . 0.0 111.811 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -153.18 138.55 17.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.771 -177.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -148.7 136.43 20.62 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.776 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.573 ' HB2' ' HB2' ' A' ' 65' ' ' GLU . 23.9 m170 -106.93 140.32 39.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.52 -178.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.56 -160.53 14.4 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.135 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 56.1 m -125.73 134.04 51.9 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.469 ' H ' HD12 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -73.93 123.54 24.46 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.472 0.653 . . . . 0.0 111.189 -175.328 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.636 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 26.2 pt20 -127.4 168.36 14.96 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.563 178.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.469 ' HB2' HD11 ' A' ' 106' ' ' LEU . . . -111.15 122.37 47.7 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.802 0.334 . . . . 0.0 111.523 178.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.442 ' CB ' ' HA ' ' A' ' 61' ' ' GLU . 21.8 t-80 -94.47 -74.41 0.54 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.353 0.597 . . . . 0.0 110.175 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.558 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -76.49 -46.5 26.42 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.642 178.233 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.525 ' CD2' ' HB3' ' A' ' 27' ' ' ARG . 66.0 m80 -71.68 151.42 43.66 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.444 -1.253 . . . . 0.0 109.256 -177.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -91.86 -66.74 0.9 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.906 0.384 . . . . 0.0 111.197 -174.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -98.71 153.4 18.75 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.068 -176.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.639 ' HG ' HD11 ' A' ' 23' ' ' LEU . 1.1 mp -130.82 123.59 29.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.7 p -129.69 144.71 37.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.681 0.277 . . . . 0.0 110.883 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 16.9 m-90 -106.78 116.99 32.88 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 173.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 25.5 p -139.32 155.37 47.75 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.295 177.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.3 m -66.89 158.22 81.3 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.231 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.525 ' O ' HD13 ' A' ' 127' ' ' LEU . 50.5 Cg_exo -46.24 -54.19 5.0 Favored 'Trans proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.177 2.584 . . . . 0.0 113.318 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.459 ' CD ' ' H ' ' A' ' 112' ' ' GLU . 1.5 pm0 -70.44 -28.49 65.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.724 0.297 . . . . 0.0 110.83 -177.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -66.8 -42.11 86.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.37 175.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 117' ' ' TYR . . . -60.03 -35.43 75.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.026 -177.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.673 HD11 HG21 ' A' ' 124' ' ' ILE . 0.2 OUTLIER -76.58 -9.22 58.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.895 0.379 . . . . 0.0 110.897 -178.15 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -88.36 -5.22 58.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.01 0.434 . . . . 0.0 110.292 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 114' ' ' ALA . 30.4 m-85 -89.83 159.49 43.08 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.66 176.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.472 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 55.6 Cg_endo -73.77 79.09 2.33 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 121.945 1.763 . . . . 0.0 111.658 175.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 75.7 mt -85.28 153.36 22.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.225 178.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.52 ' HB1' ' OD1' ' A' ' 123' ' ' ASP . . . -61.95 155.0 65.62 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.757 177.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 120' ' ' ALA . 11.6 Cg_endo -55.96 -22.68 39.56 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.373 2.715 . . . . 0.0 114.386 -174.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.586 ' HB2' HH11 ' A' ' 77' ' ' ARG . . . -98.09 -17.57 19.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.829 0.347 . . . . 0.0 110.671 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.52 ' OD1' ' HB1' ' A' ' 120' ' ' ALA . 1.1 m-20 -81.01 -26.48 36.41 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.386 -176.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.673 HG21 HD11 ' A' ' 115' ' ' LEU . 81.1 mt -63.0 -59.72 11.7 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.461 178.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.524 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 10.1 Cg_endo -53.67 -32.25 64.13 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 123.033 2.489 . . . . 0.0 113.042 177.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 84.0 mt -68.6 -41.95 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.028 0.442 . . . . 0.0 110.228 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 111' ' ' PRO . 3.2 tm? -73.49 -36.23 65.75 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.734 -179.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.588 ' HA ' ' HE3' ' A' ' 131' ' ' MET . 33.5 mt-10 -54.2 -42.24 69.53 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.741 0.305 . . . . 0.0 110.621 177.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.414 ' HA ' ' HB1' ' A' ' 132' ' ' ALA . . . -81.69 -21.0 38.32 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.779 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -71.59 -45.52 61.93 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.588 ' HE3' ' HA ' ' A' ' 128' ' ' GLU . 26.9 ptt? -69.34 -31.66 70.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.726 175.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.414 ' HB1' ' HA ' ' A' ' 129' ' ' ALA . . . -63.35 -42.24 98.89 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-O 120.931 0.396 . . . . 0.0 111.15 172.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.49 -34.26 75.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 -176.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -81.48 -16.82 50.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.101 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -88.1 -35.21 17.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.01 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' A' ' 137' ' ' ARG . . . -91.99 -33.35 14.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.427 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 136' ' ' ALA . 1.4 ptp180 66.74 134.05 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.441 0 C-N-CA 124.806 1.242 . . . . 0.0 112.21 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.55 130.62 24.03 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.02 1.813 . . . . 0.0 110.344 169.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -85.33 16.33 3.76 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.925 0.393 . . . . 0.0 111.169 -174.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.454 -0.784 . . . . 0.0 109.953 -178.657 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt . . . . . 0 N--CA 1.449 -0.517 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.421 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 62.6 mtm -96.63 141.5 29.81 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 121.638 0.732 . . . . 0.0 111.236 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.72 ' HB ' HG23 ' A' ' 84' ' ' ILE . 26.7 mt -105.46 109.86 29.18 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 114.449 -1.251 . . . . 0.0 107.947 174.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -90.4 127.61 36.25 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 -172.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.62 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 61.7 t -133.37 130.26 57.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 m -107.76 134.74 48.63 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-O 120.892 0.377 . . . . 0.0 110.197 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.25 132.82 56.54 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.616 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.58 121.16 41.82 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.137 0.494 . . . . 0.0 110.441 -175.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.503 HG23 HG23 ' A' ' 22' ' ' ILE . 5.1 mt -95.1 100.13 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.005 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 175.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.51 HD12 HD23 ' A' ' 23' ' ' LEU . 37.3 mt -93.54 101.6 12.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -176.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.578 ' HB3' ' HE2' ' A' ' 90' ' ' HIS . 34.6 tt0 -105.41 108.09 19.42 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.079 -172.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.417 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 13.1 tpt85 -126.47 131.15 51.72 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 72.6 2.33 4.31 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.815 0.697 . . . . 0.0 111.394 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.26 -0.48 37.8 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.388 -0.91 . . . . 0.0 111.208 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.559 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 22.2 mttp -114.96 155.56 26.68 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 120.681 0.277 . . . . 0.0 110.499 -176.509 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.503 HG23 HG23 ' A' ' 15' ' ' ILE . 15.6 mt -104.7 148.01 9.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.039 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.51 HD23 HD12 ' A' ' 16' ' ' ILE . 36.5 tp -87.19 121.49 29.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.101 0.477 . . . . 0.0 111.009 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.463 HD13 ' SG ' ' A' ' 109' ' ' CYS . 7.4 mp -115.62 136.26 53.24 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.14 177.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.11 123.14 43.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.056 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 37' ' ' TRP . 25.0 tt0 . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.783 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.666 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.416 HD23 ' HB2' ' A' ' 118' ' ' PRO . 1.7 mp -77.0 120.81 22.63 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.186 0.517 . . . . 0.0 111.794 175.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.48 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 16.8 m0 -97.88 155.93 16.83 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.482 177.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -131.3 164.77 24.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.772 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.449 ' HD2' HG12 ' A' ' 15' ' ' ILE . 4.5 m-85 -88.67 117.81 27.89 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.41 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -56.81 150.23 16.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.804 -174.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.3 -133.64 2.98 Favored Glycine 0 N--CA 1.443 -0.879 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -176.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.53 173.53 33.27 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.038 -1.077 . . . . 0.0 113.387 178.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -77.86 145.61 36.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.828 0.347 . . . . 0.0 110.46 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.3 t -100.53 121.24 51.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.061 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -80.05 139.43 53.15 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 171.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.5 -29.85 71.15 Favored 'Trans proline' 0 CA--C 1.529 0.255 0 C-N-CA 122.691 2.261 . . . . 0.0 112.706 -175.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -84.48 -3.11 58.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.798 -177.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -116.54 161.84 18.51 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.441 ' HB3' ' HB3' ' A' ' 52' ' ' GLN . 33.5 t -86.59 154.93 20.68 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 -177.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -62.79 -42.51 99.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.51 0.195 . . . . 0.0 110.999 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.482 ' O ' HG23 ' A' ' 55' ' ' VAL . 77.9 mtt180 -67.76 -39.45 84.14 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 175.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.441 ' HB3' ' HB3' ' A' ' 49' ' ' SER . 31.4 tt0 -66.43 -38.29 87.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.995 -175.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.97 79.39 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.28 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.708 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 24.7 mt -59.42 -46.99 87.16 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.904 0.383 . . . . 0.0 110.697 178.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 51' ' ' ARG . 70.7 t -58.44 -46.83 89.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.017 -177.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.587 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.5 ppt_? -76.74 -40.85 47.1 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.236 -177.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.82 -44.25 94.11 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.556 0.217 . . . . 0.0 111.178 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 44.4 mt -69.14 -31.86 70.83 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 120.538 -0.465 . . . . 0.0 109.884 178.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 59' ' ' ARG . 20.3 ttt180 -64.98 -36.18 83.56 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.778 0.323 . . . . 0.0 110.987 175.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.587 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 28.4 mt-10 -83.47 -41.31 18.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.203 -178.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.616 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 69.3 mm-40 -88.93 -45.91 9.31 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.706 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 65.3 mt -102.34 4.67 39.27 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.781 -172.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.57 27.98 20.22 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 114.81 0.684 . . . . 0.0 114.81 -176.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.4 pt -127.09 142.85 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 118.204 1.002 . . . . 0.0 112.054 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.568 ' HB2' ' HB2' ' A' ' 95' ' ' HIS . 41.3 mt-10 -91.92 97.84 11.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.796 175.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 94' ' ' PHE . . . -84.99 153.31 22.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.278 0.561 . . . . 0.0 111.956 -173.068 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.59 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 44.7 m -110.98 107.4 16.81 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.254 176.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.401 HG11 ' HG2' ' A' ' 51' ' ' ARG . 36.3 t -80.48 136.07 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.319 -177.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -141.52 -85.23 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.055 -1.069 . . . . 0.0 113.431 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.599 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 10.2 pt-20 -85.05 126.63 33.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.374 0.607 . . . . 0.0 111.302 -172.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -79.64 132.75 36.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.249 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.553 ' HB ' ' O ' ' A' ' 88' ' ' ALA . 90.2 t -92.1 -68.6 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.72 0.295 . . . . 0.0 111.153 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -161.31 163.66 30.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 111.529 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.4 p -123.83 149.09 46.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.043 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -137.75 139.55 40.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.355 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -115.95 137.83 51.75 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.113 0.483 . . . . 0.0 111.217 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.698 ' HG3' HG13 ' A' ' 84' ' ' ILE . 31.9 ptt180 -147.71 173.42 12.79 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -120.4 149.84 41.72 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 119.724 -0.79 . . . . 0.0 111.254 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.605 HG11 HD12 ' A' ' 9' ' ' ILE . 2.5 p -125.63 96.32 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 173.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.6 p 41.74 70.39 0.28 Allowed 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.119 -173.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.79 -22.86 10.08 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 120.756 -0.735 . . . . 0.0 114.517 176.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.51 ' HB2' HG13 ' A' ' 79' ' ' VAL . 99.1 mtt180 -96.65 136.85 36.61 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 117.735 0.767 . . . . 0.0 110.493 -177.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 8' ' ' MET . 2.0 mp -93.63 114.96 31.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 120.861 0.362 . . . . 0.0 110.789 -175.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.72 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -87.53 132.62 32.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.32 0.581 . . . . 0.0 110.025 176.592 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -117.43 97.83 6.09 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.689 -173.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.62 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.7 mp -95.13 135.98 36.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.843 0.354 . . . . 0.0 111.436 -175.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -118.72 114.38 22.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.073 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.553 ' O ' ' HB ' ' A' ' 72' ' ' VAL . . . -93.12 107.46 19.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 51.2 m0 -115.18 143.71 44.8 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.149 0.499 . . . . 0.0 110.718 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.599 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 46.9 t-80 -92.49 115.84 28.45 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.294 -176.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.478 HG21 HG12 ' A' ' 16' ' ' ILE . 11.8 m -91.71 105.48 13.46 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.75 175.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.59 ' HD2' ' O ' ' A' ' 67' ' ' THR . 73.5 Cg_endo -78.17 -2.28 12.38 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.613 2.209 . . . . 0.0 112.649 -176.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.521 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 26.9 t70 -154.5 143.55 21.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.754 -177.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 36.1 p90 -146.45 136.2 23.23 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.992 175.104 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.568 ' HB2' ' HB2' ' A' ' 65' ' ' GLU . 30.0 m170 -100.55 120.81 40.58 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.147 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 123.15 -160.86 17.61 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.871 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 55.7 m -130.09 135.14 47.9 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.599 HD13 ' H ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -72.52 125.18 26.81 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.489 0.662 . . . . 0.0 111.289 -170.682 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.706 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.8 pt20 -130.55 157.46 42.64 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.068 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.662 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -109.42 106.39 16.14 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.563 -178.01 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -80.14 -74.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.068 0.461 . . . . 0.0 110.751 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.616 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 13.8 mt-10 -91.48 25.74 2.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.176 0.513 . . . . 0.0 110.98 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -133.5 147.8 51.66 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -82.89 -61.86 1.75 Allowed 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 121.162 -0.215 . . . . 0.0 111.543 -174.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.458 ' H ' ' HB3' ' A' ' 26' ' ' GLN . . . -119.3 154.16 33.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.847 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.662 HD13 ' HB2' ' A' ' 100' ' ' ALA . 1.3 tp -127.84 126.21 41.19 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.8 p -136.53 144.63 32.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.15 0.5 . . . . 0.0 111.883 -175.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -104.58 118.02 35.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.036 173.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.463 ' SG ' HD13 ' A' ' 24' ' ' LEU . 25.9 p -137.3 155.72 49.11 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.287 176.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.481 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 20.1 m -69.32 156.58 91.34 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.124 -177.135 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.562 ' O ' HD11 ' A' ' 127' ' ' LEU . 8.1 Cg_endo -51.21 -49.49 16.94 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.86 2.373 . . . . 0.0 112.771 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -63.42 -36.38 83.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.866 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.481 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 7.7 mm-40 -68.56 -41.14 80.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.408 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.72 -41.35 90.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.207 -174.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.579 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -73.13 -7.65 52.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.844 0.354 . . . . 0.0 111.391 -174.865 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -90.73 -0.29 57.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.066 0.46 . . . . 0.0 110.524 176.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.476 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 45.2 m-85 -106.25 164.33 15.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.952 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.476 ' HD2' ' HB3' ' A' ' 117' ' ' TYR . 49.3 Cg_endo -71.81 72.77 2.51 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.532 2.154 . . . . 0.0 112.345 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.44 HD21 HD23 ' A' ' 24' ' ' LEU . 67.9 mt -81.25 153.56 27.06 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.003 175.275 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.534 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -59.99 149.2 74.84 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.517 0.198 . . . . 0.0 110.522 176.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.98 -20.86 31.55 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.326 2.684 . . . . 0.0 113.932 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -89.98 -25.37 20.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 0.0 111.131 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.534 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.3 m-20 -79.32 -23.91 43.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.507 -175.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.518 HG23 HD11 ' A' ' 115' ' ' LEU . 74.4 mt -61.84 -58.73 16.23 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.161 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.441 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 17.7 Cg_endo -58.53 -26.87 80.33 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 122.547 2.165 . . . . 0.0 112.685 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.431 HD13 ' HB2' ' A' ' 88' ' ' ALA . 86.7 mt -75.7 -44.85 40.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.212 -178.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.579 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.3 tm? -70.15 -37.6 75.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.909 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -48.99 -46.27 43.55 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 176.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.435 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -80.88 -18.28 47.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.737 -177.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.407 ' HB2' HG11 ' A' ' 72' ' ' VAL . 92.8 t80 -73.38 -47.76 39.48 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -68.46 -32.53 72.61 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.528 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -57.49 -41.33 80.5 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.978 0.418 . . . . 0.0 110.839 171.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.9 mp -64.98 -36.56 84.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.035 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -80.3 -27.85 38.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -92.86 -40.18 10.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.817 0.342 . . . . 0.0 111.652 -174.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 120.866 0.365 . . . . 0.0 110.113 178.695 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm . . . . . 0 N--CA 1.448 -0.538 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.42 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 84.5 mtp -101.79 136.53 41.47 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.698 0.761 . . . . 0.0 111.537 -177.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.721 ' HB ' HG23 ' A' ' 84' ' ' ILE . 53.8 mt -113.13 117.38 55.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 114.447 -1.251 . . . . 0.0 109.385 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -98.05 124.12 42.4 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -178.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.602 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 93.2 t -126.48 128.92 71.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 m -106.77 135.51 44.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-O 121.052 0.453 . . . . 0.0 110.563 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.54 129.7 56.33 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.058 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.601 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.14 111.8 24.22 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.063 0.459 . . . . 0.0 110.039 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.48 HG23 HG23 ' A' ' 22' ' ' ILE . 7.2 mt -94.88 100.09 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 177.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.496 HD12 HD23 ' A' ' 23' ' ' LEU . 35.1 mt -91.83 106.31 17.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.409 -179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.637 ' HB3' ' HE2' ' A' ' 90' ' ' HIS . 17.2 tt0 -112.25 124.27 52.09 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.125 -176.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.833 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -139.82 130.05 25.22 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.25 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 68.09 17.12 9.49 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.704 0.627 . . . . 0.0 111.332 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.64 10.03 63.81 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.413 -0.899 . . . . 0.0 111.758 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 15.8 mmtp -120.32 142.14 49.39 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -178.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.501 HG21 ' HE1' ' A' ' 39' ' ' PHE . 48.5 mt -103.7 140.13 22.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.0 -178.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.502 HD11 ' HB3' ' A' ' 106' ' ' LEU . 49.6 tp -77.28 116.52 17.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.176 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.583 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 54.6 mt -114.74 131.63 56.71 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.94 175.018 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.51 ' HB1' ' CB ' ' A' ' 103' ' ' HIS . . . -117.42 125.3 50.72 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.618 -177.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.29 -178.046 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 113.203 0.041 . . . . 0.0 113.203 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.58 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 5.9 mp -76.03 147.35 38.8 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.148 0.499 . . . . 0.0 111.984 -177.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.583 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 19.2 m95 -120.42 156.83 30.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.291 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -147.69 170.89 16.57 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.501 ' HE1' HG21 ' A' ' 22' ' ' ILE . 70.5 m-85 -81.08 145.7 30.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 174.137 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.92 160.13 31.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.713 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.76 -135.96 7.88 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.09 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.94 -171.68 35.01 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.839 -178.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 44' ' ' VAL . 53.0 tttm -78.36 155.35 30.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.415 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 59.4 t -106.37 129.35 59.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.424 178.109 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.468 ' C ' ' H ' ' A' ' 47' ' ' ASP . 36.3 mm-40 -91.49 152.57 43.71 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 174.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -68.26 12.29 0.24 Allowed 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 122.564 2.176 . . . . 0.0 112.39 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.468 ' H ' ' C ' ' A' ' 45' ' ' GLU . 32.3 t70 -105.15 -10.45 17.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.413 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -135.34 169.32 17.66 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.135 -173.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.5 m -91.78 160.0 15.54 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.166 176.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -70.69 -42.67 70.39 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -173.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -69.64 -31.74 70.0 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -65.06 -40.51 94.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.802 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.95 97.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.886 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.656 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 42.9 mt -62.97 -47.8 81.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.827 0.346 . . . . 0.0 110.8 178.237 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.96 -45.41 95.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.268 -177.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.591 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.3 ppt_? -69.41 -41.77 75.96 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.434 -0.507 . . . . 0.0 111.03 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 5.0 mm-40 -61.28 -52.13 66.0 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 178.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 28.0 mt -62.33 -35.49 79.25 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.521 -177.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 59' ' ' ARG . 16.4 ttt180 -59.63 -34.16 72.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.96 0.409 . . . . 0.0 110.914 174.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.591 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 21.0 mt-10 -87.26 -40.49 14.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.605 -177.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.633 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 4.8 pt-20 -92.77 -42.65 9.45 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -177.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.672 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 60.4 mt -101.55 2.86 39.51 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.459 -173.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.37 26.53 30.17 Favored Glycine 0 CA--C 1.522 0.484 0 C-N-CA 121.166 -0.54 . . . . 0.0 114.054 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.3 pt -125.32 142.18 42.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.652 0.739 . . . . 0.0 112.022 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -93.45 93.3 8.06 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.633 -1.167 . . . . 0.0 108.66 176.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.457 ' HA ' ' HA ' ' A' ' 94' ' ' PHE . . . -85.61 157.45 20.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.891 -172.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.545 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 28.3 m -117.78 104.88 11.4 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.387 175.125 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.4 t -80.83 121.33 34.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.171 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.496 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . -169.11 68.4 0.16 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 119.864 -1.16 . . . . 0.0 113.834 -174.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.569 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 14.0 pt-20 159.52 142.92 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.224 1.01 . . . . 0.0 109.406 175.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.425 ' HD1' ' NE1' ' A' ' 89' ' ' TRP . 8.5 t80 -104.83 126.51 51.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.571 -170.092 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.476 ' HA ' ' CD2' ' A' ' 133' ' ' LEU . 89.6 t -96.02 -70.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.952 175.032 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -162.1 177.16 9.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.036 0.446 . . . . 0.0 111.64 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.1 p -143.86 147.57 34.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.104 175.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -132.53 135.07 45.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.268 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -105.2 139.23 40.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.066 0.46 . . . . 0.0 110.228 173.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.495 ' HG3' HG13 ' A' ' 84' ' ' ILE . 21.6 ptt85 -152.82 174.9 13.49 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 174.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -120.66 150.52 40.8 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 119.773 -0.771 . . . . 0.0 111.075 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.644 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.3 p -116.94 93.28 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 171.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.4 m 41.77 71.69 0.2 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.196 -177.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.29 -24.02 18.62 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 114.755 0.662 . . . . 0.0 114.755 176.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.507 ' HB2' HG13 ' A' ' 79' ' ' VAL . 52.8 mtt180 -97.57 138.42 35.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.013 0.906 . . . . 0.0 110.262 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 8' ' ' MET . 1.9 mp -94.78 116.78 36.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.008 0.432 . . . . 0.0 111.044 -176.024 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.721 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -93.14 137.2 23.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.969 178.556 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -123.04 98.02 5.7 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.143 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.602 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 5.5 mp -90.94 135.74 33.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.869 0.366 . . . . 0.0 111.53 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -114.14 119.34 36.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.103 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -99.22 108.92 21.62 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.002 0.43 . . . . 0.0 110.614 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.533 ' HD1' ' O ' ' A' ' 70' ' ' GLU . 2.0 m-90 -106.25 149.87 26.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.383 176.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.637 ' HE2' ' HB3' ' A' ' 17' ' ' GLU . 50.5 t-80 -95.52 130.12 42.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.407 ' HB ' ' HA ' ' A' ' 16' ' ' ILE . 58.3 t -90.7 104.15 8.55 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.576 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 84.4 Cg_endo -80.74 -24.49 4.97 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.829 2.353 . . . . 0.0 112.58 -178.453 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -148.35 138.9 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.599 -175.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.476 ' HE1' ' HD2' ' A' ' 18' ' ' ARG . 45.3 p90 -146.99 136.92 23.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.194 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -107.4 120.5 42.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.923 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 128.97 -161.66 22.52 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.881 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.6 m -119.47 120.34 36.53 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.816 HD23 ' H ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -72.68 116.58 13.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.716 -175.17 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.672 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 8.9 pt20 -133.11 171.0 14.58 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.541 -1.208 . . . . 0.0 109.474 -174.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.495 ' HB1' ' O ' ' A' ' 103' ' ' HIS . . . -109.81 115.38 29.73 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.905 0.384 . . . . 0.0 110.821 178.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.633 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 16.4 t-80 -105.9 -55.73 2.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.44 178.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -91.51 -38.73 12.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.235 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.51 ' CB ' ' HB1' ' A' ' 25' ' ' ALA . 46.7 m80 -79.87 160.65 25.97 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -83.17 -52.02 6.98 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -173.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -147.2 165.78 29.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.86 -0.154 . . . . 0.0 110.614 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.502 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.8 mm? -117.47 140.97 48.91 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 123.186 0.304 . . . . 0.0 110.182 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.9 p -128.96 134.24 64.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 169.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.585 ' HE1' HD11 ' A' ' 98' ' ' LEU . 25.1 m-90 -100.5 113.42 26.2 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 176.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 12.4 p -136.4 152.66 50.86 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.486 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.423 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 3.1 m -65.7 160.95 57.29 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.039 -178.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.56 ' O ' HD11 ' A' ' 127' ' ' LEU . 5.6 Cg_endo -49.53 -48.2 19.86 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.786 2.324 . . . . 0.0 112.76 179.133 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.64 -32.52 74.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.763 0.316 . . . . 0.0 111.101 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.452 ' O ' ' HD1' ' A' ' 117' ' ' TYR . 24.1 mm-40 -71.81 -38.25 70.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.836 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.56 -39.72 81.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.787 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.598 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -74.63 -14.3 60.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.772 0.32 . . . . 0.0 110.547 -177.632 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -80.09 -13.92 58.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.066 0.46 . . . . 0.0 110.512 175.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.452 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 35.6 m-85 -89.89 159.59 42.67 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.398 -178.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.58 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 41.5 Cg_endo -70.22 82.43 0.85 Allowed 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.279 1.986 . . . . 0.0 111.626 176.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 71.0 mt -91.19 153.01 20.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.191 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.534 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -66.25 156.17 85.75 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.506 177.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.23 -23.57 37.63 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.191 2.594 . . . . 0.0 113.502 -177.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.428 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -87.34 -28.1 22.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.612 0.244 . . . . 0.0 111.115 -179.01 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.534 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.8 m-20 -78.4 -24.0 46.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.146 0.498 . . . . 0.0 110.501 -175.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.509 ' HB ' ' HD3' ' A' ' 125' ' ' PRO . 79.5 mt -61.3 -60.34 10.82 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.129 -177.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.509 ' HD3' ' HB ' ' A' ' 124' ' ' ILE . 28.4 Cg_endo -63.39 -24.44 71.28 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.536 2.157 . . . . 0.0 112.666 -178.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 93.1 mt -73.65 -43.51 59.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.598 ' HB3' HD23 ' A' ' 115' ' ' LEU . 2.8 tm? -72.28 -37.32 69.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.132 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -51.64 -44.65 63.04 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.818 0.342 . . . . 0.0 110.817 175.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.491 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -80.38 -15.36 57.02 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.542 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.456 ' HB3' HD22 ' A' ' 127' ' ' LEU . 66.2 t80 -76.26 -47.19 24.72 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 177.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 16.1 ptp -65.52 -35.89 82.22 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.138 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.491 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -59.37 -39.82 84.5 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.984 0.421 . . . . 0.0 110.719 171.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.476 ' CD2' ' HA ' ' A' ' 72' ' ' VAL . 0.9 OUTLIER -67.78 -30.09 69.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.972 -178.196 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.517 ' HD3' ' HG3' ' A' ' 111' ' ' PRO . 51.6 mtp85 -86.13 -24.12 26.35 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 177.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -88.63 -39.56 13.97 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.783 -176.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.964 178.717 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? . . . . . 0 CA--C 1.519 -0.236 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 54.5 mtp -104.9 134.13 48.53 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.733 0.778 . . . . 0.0 112.063 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.734 ' HB ' HG23 ' A' ' 84' ' ' ILE . 36.5 mt -115.21 114.7 47.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.163 176.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -94.46 127.13 40.17 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.581 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 90.1 t -132.4 130.08 59.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.462 HG12 ' HB2' ' A' ' 87' ' ' HIS . 1.7 m -106.14 135.9 42.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-O 121.047 0.451 . . . . 0.0 110.27 176.408 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.7 132.8 56.43 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.637 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.1 123.92 46.8 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.13 0.49 . . . . 0.0 110.275 -176.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.43 HG12 ' HD2' ' A' ' 39' ' ' PHE . 3.8 mt -94.68 99.81 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 176.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.549 HG12 HG21 ' A' ' 91' ' ' VAL . 34.9 mt -94.64 109.77 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.238 -174.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 65.8 tt0 -106.65 134.45 49.78 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.559 -174.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -143.23 120.58 11.6 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 65.99 10.98 7.41 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.437 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.74 2.41 43.05 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.174 -1.012 . . . . 0.0 112.261 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 10.0 mttp -114.81 151.64 33.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.412 ' CG2' HG23 ' A' ' 15' ' ' ILE . 7.1 mt -104.33 147.88 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -178.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.608 HD11 ' HB3' ' A' ' 106' ' ' LEU . 52.5 tp -85.92 117.5 24.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.194 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 mp -109.86 139.16 45.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.088 177.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.94 121.69 39.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.855 0.36 . . . . 0.0 111.5 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.964 -178.448 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.728 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.536 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 6.4 mp -76.82 149.63 36.19 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.954 0.407 . . . . 0.0 110.783 177.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.575 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 56.2 m95 -117.7 154.68 31.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.14 -178.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -154.64 162.66 41.03 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 174.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.43 ' HD2' HG12 ' A' ' 15' ' ' ILE . 9.6 m-30 -80.6 139.06 36.46 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.88 161.61 29.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.945 0.403 . . . . 0.0 111.352 -175.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.02 -133.8 3.1 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.43 176.51 37.02 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.232 -0.985 . . . . 0.0 113.107 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -78.62 148.67 33.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.1 t -100.62 111.42 30.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.869 -178.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -74.12 143.62 80.72 Favored Pre-proline 0 C--N 1.317 -0.838 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.63 -9.1 17.09 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.595 2.197 . . . . 0.0 112.846 -176.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -98.15 -3.07 38.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.113 0.482 . . . . 0.0 110.141 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -127.07 159.26 34.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.527 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 p -96.66 168.09 10.73 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.363 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -60.4 -53.57 56.05 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -172.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.431 ' O ' HG23 ' A' ' 55' ' ' VAL . 81.5 mtt180 -63.22 -34.43 77.63 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.491 0.662 . . . . 0.0 109.607 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -68.73 -42.3 77.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.277 -176.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.5 -45.52 93.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.718 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.662 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 24.1 mt -60.33 -46.71 88.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 110.893 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 51' ' ' ARG . 53.3 t -60.07 -43.42 92.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.3 -177.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.685 ' HD3' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -71.99 -45.12 62.15 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.768 178.492 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.685 ' N ' ' HD3' ' A' ' 56' ' ' ARG . 5.4 mm-40 -61.52 -42.9 99.5 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -176.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 41.7 mt -69.83 -29.57 66.87 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.249 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -68.82 -39.26 80.13 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.714 173.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.636 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 39.6 mt-10 -78.7 -33.5 46.79 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -176.13 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.524 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 4.1 mt-10 -89.5 -52.18 5.15 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.811 172.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.77 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 23.4 mt -101.05 6.11 43.26 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -166.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 45.05 34.25 4.11 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 114.869 0.707 . . . . 0.0 114.869 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.555 HG12 ' HB2' ' A' ' 62' ' ' LEU . 34.6 pt -123.59 145.12 31.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 117.985 0.892 . . . . 0.0 111.874 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.489 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 34.1 mt-10 -90.25 95.72 10.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.009 174.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.43 ' CB ' HD12 ' A' ' 58' ' ' LEU . . . -87.63 154.63 20.44 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.979 0.419 . . . . 0.0 111.478 -175.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.597 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 64.9 m -116.24 110.21 18.46 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.784 175.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 t -85.71 121.85 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -124.4 -83.72 0.58 Allowed Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.288 -0.958 . . . . 0.0 113.007 -174.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.572 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 15.4 pt-20 -89.17 134.02 34.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.399 0.619 . . . . 0.0 111.643 -173.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.543 ' HB3' ' CZ3' ' A' ' 89' ' ' TRP . 55.1 m-85 -81.15 132.78 35.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.126 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.536 ' HB ' ' O ' ' A' ' 88' ' ' ALA . 86.5 t -94.05 -70.8 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 120.76 0.314 . . . . 0.0 110.898 177.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -163.77 179.79 6.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.471 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.9 m -145.42 151.65 38.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.766 177.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -137.95 147.41 44.27 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -112.45 144.06 42.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.321 0.581 . . . . 0.0 111.693 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.638 ' HG3' HG13 ' A' ' 84' ' ' ILE . 16.4 ptt180 -154.97 173.89 15.92 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 173.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -119.74 151.45 38.75 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 119.562 -0.855 . . . . 0.0 111.067 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.602 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.9 p -122.38 95.1 3.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.343 172.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 p 45.31 67.87 0.66 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.078 -175.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.99 -19.15 23.33 Favored Glycine 0 CA--C 1.522 0.476 0 C-N-CA 121.072 -0.585 . . . . 0.0 114.364 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.478 ' HB2' HG13 ' A' ' 79' ' ' VAL . 63.6 mtt180 -95.75 133.62 39.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.569 0.684 . . . . 0.0 110.108 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mp -93.87 113.07 27.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-O 121.05 0.452 . . . . 0.0 110.443 -175.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.734 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -90.87 131.25 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.621 178.67 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -116.63 97.28 5.91 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.269 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.581 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.6 mp -89.91 130.36 36.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -176.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.559 ' HB3' ' CZ2' ' A' ' 89' ' ' TRP . 71.8 m-70 -113.87 113.54 25.02 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.809 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.536 ' O ' ' HB ' ' A' ' 72' ' ' VAL . . . -93.77 104.99 17.05 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.166 177.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.559 ' CZ2' ' HB3' ' A' ' 87' ' ' HIS . 2.6 m95 -109.12 142.58 39.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.014 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.572 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 29.3 t-80 -90.87 117.74 29.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.417 -177.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.549 HG21 HG12 ' A' ' 16' ' ' ILE . 14.2 m -95.15 107.06 29.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 174.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.597 ' HD2' ' O ' ' A' ' 67' ' ' THR . 60.1 Cg_endo -71.28 -14.71 31.47 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.728 2.285 . . . . 0.0 112.984 -174.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -158.56 152.55 23.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.098 0.475 . . . . 0.0 111.357 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.441 ' CE2' HD23 ' A' ' 98' ' ' LEU . 41.5 p90 -144.55 140.3 28.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.432 178.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 41.2 t-80 -108.36 124.83 50.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.694 0.283 . . . . 0.0 110.551 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.74 -166.53 17.37 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.472 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.3 m -115.53 117.24 29.8 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.554 HD21 ' HZ2' ' A' ' 108' ' ' TRP . 0.9 OUTLIER -73.72 124.44 26.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.739 0.781 . . . . 0.0 111.049 -173.527 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.77 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 20.0 pt20 -124.89 159.31 31.42 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.71 -1.132 . . . . 0.0 108.69 -177.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' A' ' 103' ' ' HIS . . . -107.02 107.18 18.06 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.533 177.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -89.17 -56.55 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.389 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.524 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 13.9 mt-10 -87.69 -51.52 5.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.706 177.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.482 ' O ' ' HB1' ' A' ' 100' ' ' ALA . 77.2 m80 -69.81 163.93 24.74 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 177.036 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -86.6 -63.84 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -173.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -131.7 167.92 18.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.132 -175.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.608 ' HB3' HD11 ' A' ' 23' ' ' LEU . 2.4 mm? -121.77 139.21 53.88 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 -178.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.4 p -135.15 139.58 46.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.886 0.374 . . . . 0.0 110.989 173.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.554 ' HZ2' HD21 ' A' ' 98' ' ' LEU . 97.4 m95 -97.76 117.86 33.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.282 174.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 26.3 p -139.87 155.93 46.97 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 174.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.9 m -72.86 156.54 89.75 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -177.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.517 ' O ' HD11 ' A' ' 127' ' ' LEU . 3.9 Cg_endo -46.52 -49.05 12.51 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.467 2.778 . . . . 0.0 113.395 -177.04 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -66.4 -35.62 80.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.306 -177.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -70.4 -39.18 74.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.789 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.61 -39.06 72.95 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.123 -176.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.568 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -72.34 -14.2 61.67 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.862 0.363 . . . . 0.0 110.577 -175.158 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -87.18 -7.85 57.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.943 0.401 . . . . 0.0 110.593 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -83.83 160.91 57.31 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 176.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.536 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 50.3 Cg_endo -71.01 75.4 1.74 Allowed 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 121.973 1.782 . . . . 0.0 111.153 175.233 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.575 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 74.5 mt -80.99 153.45 27.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.697 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.8 148.35 76.19 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.35 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -55.4 -27.33 57.83 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.833 2.355 . . . . 0.0 113.214 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.504 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -92.39 -17.17 24.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.248 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -79.78 -28.79 40.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.338 0.589 . . . . 0.0 110.07 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.549 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 75.8 mt -63.48 -57.63 19.06 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.771 -174.172 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 18.9 Cg_endo -57.98 -27.15 78.04 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.496 2.131 . . . . 0.0 112.819 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.477 HD11 ' HB3' ' A' ' 86' ' ' LEU . 98.6 mt -73.65 -38.94 64.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.267 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.568 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.2 tm? -76.28 -37.39 57.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.762 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 32.2 mt-10 -56.76 -40.8 76.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.525 0.202 . . . . 0.0 111.081 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.29 -25.58 51.47 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.269 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -67.82 -45.69 74.01 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.7 ptm -70.62 -35.16 72.8 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.014 176.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.57 -50.94 71.98 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.967 0.413 . . . . 0.0 111.558 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.18 -26.69 68.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.724 -173.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.462 HH11 ' HD2' ' A' ' 134' ' ' ARG . 19.0 mtp180 -92.93 -22.11 19.41 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.685 -177.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.99 -38.1 13.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.991 0.425 . . . . 0.0 110.831 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.29 179.936 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.403 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 51.2 mtt -97.94 131.9 43.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.545 0.688 . . . . 0.0 110.826 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.745 ' HB ' HG23 ' A' ' 84' ' ' ILE . 37.1 mt -105.4 117.03 50.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.017 -0.992 . . . . 0.0 108.964 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -93.67 123.97 37.35 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 92.6 t -128.53 129.05 68.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 m -102.0 133.73 44.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-O 121.053 0.454 . . . . 0.0 110.218 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.81 132.56 55.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.07 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.581 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.89 117.16 34.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.154 0.502 . . . . 0.0 110.816 -177.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.414 HG23 ' CG2' ' A' ' 22' ' ' ILE . 4.4 mt -97.73 100.95 11.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 174.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.574 HD12 HD23 ' A' ' 23' ' ' LEU . 36.8 mt -91.65 104.79 15.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.282 -176.293 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.626 ' HB3' ' HE2' ' A' ' 90' ' ' HIS . 39.9 tt0 -111.93 113.97 26.6 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.137 -175.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.99 143.48 42.82 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 176.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 69.48 7.56 6.3 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.509 0.506 . . . . 0.0 111.004 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.28 -0.95 64.16 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -177.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 15.7 mmtp -113.96 154.69 27.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.462 -0.369 . . . . 0.0 110.345 -176.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.633 HG21 ' HE1' ' A' ' 39' ' ' PHE . 23.1 mt -104.19 142.85 16.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.192 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.574 HD23 HD12 ' A' ' 16' ' ' ILE . 39.2 tp -81.13 119.23 23.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.101 0.477 . . . . 0.0 110.621 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.602 HD13 ' SG ' ' A' ' 109' ' ' CYS . 8.5 mp -114.99 133.75 55.77 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.072 176.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 37' ' ' TRP . . . -108.38 127.22 53.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.3 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 . . . . . 0 C--N 1.318 -0.769 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.36 174.157 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.608 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.511 ' H ' HD22 ' A' ' 36' ' ' LEU . 2.0 mm? -74.27 141.99 45.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.666 0.269 . . . . 0.0 110.465 177.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.545 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 35.4 m0 -107.38 147.74 29.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.198 175.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.48 173.65 13.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.896 0.379 . . . . 0.0 111.528 177.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.633 ' HE1' HG21 ' A' ' 22' ' ' ILE . 96.5 m-85 -92.38 118.8 31.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.504 176.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.433 ' HB3' HD11 ' A' ' 62' ' ' LEU . . . -61.73 164.29 6.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.732 -177.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.82 -133.45 3.62 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -176.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.424 ' HA3' ' OE2' ' A' ' 57' ' ' GLU . . . 161.3 179.36 35.97 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.734 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -78.1 150.61 33.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.945 0.402 . . . . 0.0 110.48 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.7 t -99.11 126.3 52.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.649 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 33.7 mm-40 -84.91 143.75 40.71 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 171.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -55.1 -29.3 64.99 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.71 2.273 . . . . 0.0 113.094 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -70.7 -28.56 64.85 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 18.4 pt-20 -104.17 163.45 12.39 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.428 0.633 . . . . 0.0 111.551 -173.057 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.2 m -96.38 167.2 11.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.734 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -57.42 -57.03 14.43 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.119 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.532 ' O ' HG23 ' A' ' 55' ' ' VAL . 83.2 mtt180 -65.94 -28.5 68.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.208 0.528 . . . . 0.0 109.703 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -71.34 -43.45 66.97 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.394 -172.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.47 -47.33 86.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.875 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.683 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 31.5 mt -61.45 -43.18 99.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.726 0.298 . . . . 0.0 111.27 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 51' ' ' ARG . 53.8 t -61.96 -43.18 97.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.034 -177.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.507 ' HG3' ' N ' ' A' ' 57' ' ' GLU . 13.1 ptt85 -73.36 -44.47 58.65 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.241 -0.583 . . . . 0.0 110.879 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.507 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 5.3 mm-40 -58.2 -46.84 85.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.713 0.292 . . . . 0.0 111.538 -178.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 27.5 mt -69.38 -28.93 66.61 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.09 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 59' ' ' ARG . 21.6 ttt180 -65.1 -36.72 85.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.834 0.349 . . . . 0.0 110.86 174.026 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 28.8 mt-10 -82.55 -44.24 16.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.281 -177.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.419 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 76.8 mm-40 -91.52 -36.21 13.85 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -175.298 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.569 HD12 HD22 ' A' ' 58' ' ' LEU . 63.1 mt -110.09 3.85 20.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -174.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 55.6 21.87 30.07 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 114.914 0.725 . . . . 0.0 114.914 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.488 HG23 ' HA ' ' A' ' 98' ' ' LEU . 36.2 pt -122.83 144.55 31.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 118.105 0.952 . . . . 0.0 111.808 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.563 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 28.4 mt-10 -92.18 93.97 8.96 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 173.145 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.438 ' CB ' HD12 ' A' ' 58' ' ' LEU . . . -78.76 150.26 32.47 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.072 0.463 . . . . 0.0 111.938 -172.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.593 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 57.4 m -109.53 103.98 12.96 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 172.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.53 ' HA ' HG12 ' A' ' 91' ' ' VAL . 39.4 t -85.31 134.75 26.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.498 -175.03 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.657 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 177.34 74.87 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.221 -0.99 . . . . 0.0 112.596 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.657 ' HG2' ' O ' ' A' ' 69' ' ' GLY . 30.9 mm-40 173.04 103.74 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.122 1.369 . . . . 0.0 109.383 178.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -84.38 113.65 21.32 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 81.2 t -95.73 -70.17 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.801 0.334 . . . . 0.0 111.695 -176.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.98 168.84 22.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.975 0.417 . . . . 0.0 111.45 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.0 p -136.97 143.57 42.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.66 175.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -135.77 135.85 40.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.716 0.293 . . . . 0.0 110.468 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -109.23 145.62 35.58 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.435 0.636 . . . . 0.0 111.115 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -160.76 175.34 12.71 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -119.49 150.5 40.13 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.563 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.625 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.7 p -120.67 95.26 3.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.731 172.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.4 m 47.93 67.5 0.82 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.6 -177.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.7 -23.74 8.52 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 121.06 -0.59 . . . . 0.0 114.483 177.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.431 ' HB2' HG13 ' A' ' 79' ' ' VAL . 75.5 mtt180 -93.07 137.56 32.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.776 0.788 . . . . 0.0 110.158 -177.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 8' ' ' MET . 2.0 mp -94.85 114.2 30.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.075 0.464 . . . . 0.0 110.562 -175.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.745 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -90.79 138.29 19.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.81 178.615 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -118.95 100.79 7.59 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.231 -0.895 . . . . 0.0 108.902 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.457 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.5 mp -89.8 128.76 36.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.993 0.425 . . . . 0.0 111.294 -177.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -109.63 113.02 25.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.261 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.7 107.08 18.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.009 0.433 . . . . 0.0 110.711 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -107.01 130.41 54.65 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.427 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.626 ' HE2' ' HB3' ' A' ' 17' ' ' GLU . 14.8 t-80 -90.54 118.72 30.22 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.44 177.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.53 HG12 ' HA ' ' A' ' 68' ' ' VAL . 17.4 m -91.18 109.78 37.92 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-O 121.23 0.538 . . . . 0.0 109.98 177.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.593 ' HD2' ' O ' ' A' ' 67' ' ' THR . 56.0 Cg_endo -72.57 -11.99 26.63 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.666 2.244 . . . . 0.0 112.601 -178.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -155.62 150.81 26.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.243 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 36.6 p90 -147.15 138.37 23.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.697 174.076 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.563 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 33.1 t-80 -101.32 130.39 47.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.135 -178.058 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 109.36 -156.35 15.66 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.812 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.1 m -129.48 139.08 51.69 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.588 HD11 ' CZ2' ' A' ' 108' ' ' TRP . 0.7 OUTLIER -81.72 124.99 30.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.808 0.813 . . . . 0.0 111.394 -173.206 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.436 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 17.2 pt20 -138.3 137.72 37.7 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.716 -176.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.647 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -93.22 122.58 35.76 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -171.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 17.2 t-80 -85.55 -77.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.515 175.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.419 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 42.5 mm-40 -79.35 -29.55 42.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.176 0.513 . . . . 0.0 111.264 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.425 ' HB3' ' HB1' ' A' ' 25' ' ' ALA . 10.0 m-70 -81.78 157.14 24.6 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -178.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -93.41 -67.57 0.85 Allowed 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.337 -172.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.05 150.71 36.85 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.734 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.647 HD13 ' HB2' ' A' ' 100' ' ' ALA . 4.0 mp -123.16 130.21 52.46 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.428 HG11 ' CZ3' ' A' ' 37' ' ' TRP . 12.3 p -134.12 148.02 30.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.873 0.368 . . . . 0.0 111.171 -176.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.588 ' CZ2' HD11 ' A' ' 98' ' ' LEU . 22.2 m-90 -105.41 112.43 25.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.497 175.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.602 ' SG ' HD13 ' A' ' 24' ' ' LEU . 25.9 p -133.18 155.04 50.04 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.602 178.11 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.4 m -68.15 152.9 96.15 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.031 -178.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.567 ' O ' HD11 ' A' ' 127' ' ' LEU . 6.5 Cg_endo -49.32 -47.49 22.09 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.011 2.474 . . . . 0.0 112.788 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -64.84 -35.8 82.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.866 0.365 . . . . 0.0 111.193 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -74.43 -33.73 63.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.476 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.97 87.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.557 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.619 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -75.39 -11.97 60.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.989 0.423 . . . . 0.0 110.68 -176.138 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -80.48 -10.25 59.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.239 0.543 . . . . 0.0 110.321 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.647 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 36.9 m-85 -103.11 170.11 6.64 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.219 -174.059 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.647 ' HD2' ' HB3' ' A' ' 117' ' ' TYR . 62.0 Cg_endo -73.26 73.76 3.2 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.244 1.963 . . . . 0.0 112.496 -177.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.545 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 27.8 mt -81.02 149.01 29.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.68 175.506 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.609 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -65.25 154.78 86.53 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.863 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.401 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 8.2 Cg_endo -50.2 -33.67 36.78 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.651 2.901 . . . . 0.0 114.13 -175.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.455 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -85.23 -21.89 28.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.781 0.324 . . . . 0.0 111.423 -176.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.609 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.7 m-20 -82.08 -23.83 35.55 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.819 -173.062 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.443 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 76.4 mt -62.71 -58.07 18.68 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.234 -177.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.443 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 19.1 Cg_endo -59.85 -24.53 76.38 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 122.477 2.118 . . . . 0.0 112.61 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.3 mt -76.35 -44.42 36.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.102 0.477 . . . . 0.0 110.033 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.619 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.1 tm? -71.16 -37.54 72.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.068 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -50.76 -45.56 59.03 Favored 'General case' 0 N--CA 1.461 0.099 0 O-C-N 123.15 0.281 . . . . 0.0 111.03 175.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.494 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -80.85 -17.19 51.53 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.673 -178.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -75.81 -48.04 23.27 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.1 ptm -67.34 -33.46 75.29 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.398 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -60.41 -39.7 88.35 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.93 0.395 . . . . 0.0 110.86 172.22 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.82 -37.73 85.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.581 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -79.15 -20.85 47.49 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -87.27 -37.35 17.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.968 0.413 . . . . 0.0 110.609 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.49 179.208 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.7 mttp . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 120.999 0.428 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 64.7 mtt -105.71 144.96 31.73 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.091 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.829 ' HB ' HG23 ' A' ' 84' ' ' ILE . 20.6 mt -106.42 115.5 48.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 173.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.53 113.33 24.98 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -171.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 99.4 t -124.22 127.91 73.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.097 0.475 . . . . 0.0 109.837 -175.045 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 m -98.88 131.26 46.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 176.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.34 131.93 55.26 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -177.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.573 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.13 119.95 39.65 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 121.113 0.482 . . . . 0.0 110.77 -175.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.562 HG12 ' CD2' ' A' ' 39' ' ' PHE . 4.5 mt -94.88 100.04 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.162 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 173.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.542 HD12 HD23 ' A' ' 23' ' ' LEU . 35.4 mt -91.73 101.73 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.533 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . 3.3 tm-20 -119.83 126.08 50.12 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.703 -173.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 19' ' ' ASP . 16.3 tpt180 -149.2 143.73 26.11 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 177.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.472 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 18.1 t70 81.46 -22.49 0.26 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.374 0.67 . . . . 0.0 110.939 -174.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.04 5.55 28.74 Favored Glycine 0 N--CA 1.441 -0.975 0 N-CA-C 109.776 -1.329 . . . . 0.0 109.776 -163.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 4.7 mttp -114.32 145.79 41.32 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.177 -0.512 . . . . 0.0 109.884 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.414 ' CG2' HG23 ' A' ' 15' ' ' ILE . 24.1 mt -106.74 147.23 12.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.542 HD23 HD12 ' A' ' 16' ' ' ILE . 53.9 tp -89.09 122.63 32.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.239 0.543 . . . . 0.0 111.35 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.522 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 7.2 mp -111.9 138.82 48.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.93 178.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.26 114.82 22.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.302 0.572 . . . . 0.0 110.709 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.611 -175.454 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.638 0 N-CA-C 112.794 -0.123 . . . . 0.0 112.794 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.558 ' HA ' ' HG2' ' A' ' 118' ' ' PRO . 4.0 mp -86.99 153.89 21.2 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.215 0.531 . . . . 0.0 111.58 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -118.85 154.18 33.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.387 -174.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.704 ' HG3' ' HE1' ' A' ' 103' ' ' HIS . 10.4 pt-20 -156.12 161.99 40.29 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 172.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.562 ' CD2' HG12 ' A' ' 15' ' ' ILE . 6.8 m-30 -82.14 145.75 29.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.939 0.4 . . . . 0.0 110.218 -176.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.53 164.76 26.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.293 -175.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.61 -136.76 4.89 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -178.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.05 175.38 34.86 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.383 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -78.23 150.66 33.41 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.4 t -91.77 126.34 44.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.381 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.594 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 42.8 mt-10 -97.41 135.68 21.67 Favored Pre-proline 0 C--N 1.319 -0.731 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 173.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.03 14.73 0.07 OUTLIER 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.548 2.832 . . . . 0.0 115.237 -168.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -102.2 -21.26 14.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.407 0.622 . . . . 0.0 110.641 173.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 14.6 pt-20 -109.85 152.36 25.87 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.758 -174.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.3 t -81.89 161.91 22.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.958 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -54.95 -40.68 70.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.725 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.525 ' O ' HG23 ' A' ' 55' ' ' VAL . 81.5 mtt180 -67.36 -40.79 85.83 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 110.012 178.252 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -67.31 -40.11 85.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.094 -175.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.69 -46.48 87.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.454 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.745 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 67.6 mt -59.97 -48.35 82.06 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.163 0.506 . . . . 0.0 110.337 177.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 51' ' ' ARG . 71.2 t -59.78 -46.58 93.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.527 -176.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.62 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 8.0 ppt_? -77.15 -40.13 46.67 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.342 -176.589 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.412 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 4.5 mm-40 -61.64 -40.76 96.01 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.168 -0.213 . . . . 0.0 111.399 177.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 40.7 mt -70.73 -29.06 65.21 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 120.262 -0.575 . . . . 0.0 109.847 176.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -66.24 -37.09 84.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.893 0.378 . . . . 0.0 110.674 173.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.62 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 31.2 mt-10 -81.11 -39.35 25.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.618 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.692 ' CD ' ' HB2' ' A' ' 102' ' ' GLU . 1.0 OUTLIER -84.51 -53.26 5.54 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.792 0.294 . . . . 0.0 111.792 179.057 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.73 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 25.2 mt -104.1 8.51 36.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.709 -167.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 46.64 31.71 5.32 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 114.986 0.755 . . . . 0.0 114.986 -175.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.565 HG12 ' HB2' ' A' ' 62' ' ' LEU . 42.3 pt -122.52 142.85 37.38 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 CA-C-N 118.167 0.984 . . . . 0.0 111.574 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -89.06 97.61 11.3 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.856 175.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.491 ' HB1' HG11 ' A' ' 91' ' ' VAL . . . -82.2 150.5 27.33 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.296 0.57 . . . . 0.0 111.873 -174.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.551 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 27.8 m -115.18 112.21 22.16 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.21 173.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.0 t -96.92 128.95 47.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.732 -175.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.85 64.67 0.1 OUTLIER Glycine 0 C--N 1.333 0.41 0 C-N-CA 119.856 -1.164 . . . . 0.0 114.036 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.485 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 11.5 pt-20 164.18 109.17 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.027 0.931 . . . . 0.0 109.827 177.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -79.5 127.02 31.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.124 -174.181 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.412 ' HA ' HD22 ' A' ' 133' ' ' LEU . 91.1 t -94.6 -70.04 0.65 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.309 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -167.96 -176.72 3.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.87 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.3 m -148.07 150.65 34.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.544 176.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -140.09 146.64 39.16 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -112.86 142.09 45.92 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.291 0.567 . . . . 0.0 111.235 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.633 ' HD3' ' HB2' ' A' ' 122' ' ' ALA . 28.2 ptt180 -145.08 160.29 41.63 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 176.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -108.61 142.0 39.71 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 119.091 -1.043 . . . . 0.0 110.137 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.765 HG11 HD12 ' A' ' 9' ' ' ILE . 2.1 p -112.32 93.22 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 174.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.3 m 36.54 66.84 0.36 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.677 -1.147 . . . . 0.0 112.551 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.6 -22.36 34.29 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 120.701 -0.761 . . . . 0.0 114.579 176.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.527 ' HD2' HD11 ' A' ' 9' ' ' ILE . 50.3 mtt180 -110.63 152.23 26.73 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 117.836 0.818 . . . . 0.0 110.493 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.428 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.7 mp -102.48 113.27 38.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.829 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -86.07 134.14 28.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.15 0.5 . . . . 0.0 110.212 177.334 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -112.75 97.7 6.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.481 -177.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.574 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.9 mp -90.71 124.04 34.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.722 0.296 . . . . 0.0 111.247 -176.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -109.04 116.81 32.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.905 175.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -96.62 116.11 28.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.173 0.511 . . . . 0.0 111.203 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -116.76 147.53 41.97 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.252 175.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.533 ' NE2' ' HB3' ' A' ' 17' ' ' GLU . 10.0 t-160 -96.55 127.49 42.59 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 173.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.491 HG11 ' HB1' ' A' ' 66' ' ' ALA . 13.8 m -91.26 105.23 11.89 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-O 121.168 0.509 . . . . 0.0 109.689 174.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.551 ' HD2' ' O ' ' A' ' 67' ' ' THR . 26.0 Cg_endo -62.86 -22.23 73.7 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.767 2.312 . . . . 0.0 112.078 179.39 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -145.23 144.29 30.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.875 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -146.1 132.89 20.03 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.722 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -112.5 119.23 37.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.741 -176.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 131.67 -165.13 23.43 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.183 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.1 m -115.91 113.78 23.77 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.531 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -69.04 121.14 16.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.667 0.746 . . . . 0.0 111.086 -176.05 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.73 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 10.8 pt20 -132.92 167.76 19.66 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.286 -177.146 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.571 ' HB2' HD11 ' A' ' 106' ' ' LEU . . . -102.23 137.39 40.55 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.427 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.592 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 16.1 t60 -125.07 -58.14 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.692 ' HB2' ' CD ' ' A' ' 61' ' ' GLU . 6.4 mm-40 -85.29 -42.26 14.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.707 177.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.704 ' HE1' ' HG3' ' A' ' 38' ' ' GLU . 11.7 m-70 -86.11 -179.39 6.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.913 175.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -112.52 -69.8 0.84 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -172.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.25 162.49 14.03 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.342 -0.224 . . . . 0.0 110.593 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 100' ' ' ALA . 5.6 mp -137.93 136.8 37.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.027 0.441 . . . . 0.0 111.025 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.2 p -132.95 146.6 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.744 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -103.75 117.92 35.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.995 174.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 26.2 p -140.51 155.49 46.62 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.006 175.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.491 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 24.6 m -72.07 160.21 83.32 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 -177.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.491 ' HD2' ' HB3' ' A' ' 110' ' ' SER . 2.6 Cg_endo -46.94 -50.76 10.34 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.473 2.782 . . . . 0.0 113.596 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -67.75 -35.36 78.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.9 0.381 . . . . 0.0 110.692 -177.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.425 ' HA ' ' NE2' ' A' ' 116' ' ' GLN . 43.6 mm-40 -68.05 -38.87 82.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.734 177.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.57 -41.55 73.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.596 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.639 ' HG ' HD12 ' A' ' 127' ' ' LEU . 14.3 mt -72.9 -12.34 60.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.039 -176.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 113' ' ' GLU . 50.5 mt-30 -83.87 -11.96 56.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.017 0.437 . . . . 0.0 110.562 175.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.461 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 48.4 m-85 -89.64 164.43 29.25 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.335 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.558 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 42.9 Cg_endo -72.75 79.79 1.86 Allowed 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.324 2.016 . . . . 0.0 111.708 177.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.419 HD12 HD23 ' A' ' 115' ' ' LEU . 63.6 mt -89.75 152.88 21.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.423 178.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.489 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -66.24 155.85 86.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 176.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.415 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 19.0 Cg_endo -59.37 -14.48 25.07 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.086 2.524 . . . . 0.0 113.698 -176.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.633 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -96.31 -26.38 15.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.544 0.211 . . . . 0.0 111.04 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.489 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 2.4 m-20 -78.25 -24.86 46.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.431 -175.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.461 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 81.4 mt -65.07 -58.79 11.55 Favored Pre-proline 0 CA--C 1.539 0.528 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.905 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.461 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 12.3 Cg_endo -57.9 -30.63 90.31 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 122.555 2.17 . . . . 0.0 112.775 178.287 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 95.9 mt -70.67 -38.58 73.79 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.139 0.495 . . . . 0.0 109.939 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.639 HD12 ' HG ' ' A' ' 115' ' ' LEU . 1.8 tm? -72.15 -39.5 68.7 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.748 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -52.21 -42.4 63.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.769 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.503 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -82.54 -19.29 38.9 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -73.1 -45.76 55.22 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 177.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.6 ptm -70.95 -31.19 67.7 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.505 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.503 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -61.23 -40.57 94.52 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 120.794 0.33 . . . . 0.0 110.996 172.005 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 72' ' ' VAL . 1.4 mp -66.71 -37.15 84.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.453 -177.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -81.6 -15.45 54.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.035 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.43 -37.18 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 111.036 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.648 178.926 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.738 ' HB2' ' HG2' ' A' ' 82' ' ' ARG . 85.8 mttt . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.6 mtt -101.93 130.47 48.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.523 0.677 . . . . 0.0 111.391 -175.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.768 ' HB ' HG23 ' A' ' 84' ' ' ILE . 41.4 mt -109.29 111.6 36.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 114.594 -1.184 . . . . 0.0 108.533 177.307 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -96.38 120.23 36.31 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -176.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.467 ' HB ' ' HG ' ' A' ' 86' ' ' LEU . 60.0 t -123.24 139.0 51.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -178.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.443 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 2.6 m -111.78 133.65 56.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-O 121.062 0.458 . . . . 0.0 110.421 175.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.25 131.51 55.89 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.635 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.93 119.17 38.38 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.17 0.51 . . . . 0.0 110.31 -177.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 22' ' ' ILE . 5.3 mt -95.24 99.86 10.05 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 176.121 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.747 HG13 HD23 ' A' ' 23' ' ' LEU . 2.1 mm -82.8 102.81 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.496 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 41.9 tt0 -109.4 113.3 26.0 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.211 -176.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.441 ' NH1' ' HA ' ' A' ' 93' ' ' ASP . 10.6 tpt180 -124.84 123.13 39.28 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.111 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 63.66 18.2 10.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.667 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.64 4.7 60.47 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 9.6 mttp -117.29 149.72 39.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.787 0.327 . . . . 0.0 110.72 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.664 HG21 ' HE1' ' A' ' 39' ' ' PHE . 12.5 mt -105.02 144.44 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.951 -174.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.747 HD23 HG13 ' A' ' 16' ' ' ILE . 52.7 tp -86.39 123.05 31.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.223 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.615 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 42.7 mt -117.01 146.01 43.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.785 175.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.47 122.42 40.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.15 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.238 0.464 0 CA-C-O 121.524 0.678 . . . . 0.0 111.361 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.355 0 N-CA-C 111.882 -0.487 . . . . 0.0 111.882 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.614 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 7.7 mp -84.93 156.51 21.18 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.821 -0.689 . . . . 0.0 111.386 -178.116 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 42.5 m95 -113.61 146.82 39.13 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 175.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -135.51 161.43 35.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.599 0.238 . . . . 0.0 110.859 -173.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.664 ' HE1' HG21 ' A' ' 22' ' ' ILE . 94.8 m-85 -85.98 117.02 24.56 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 172.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.63 151.33 25.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.303 -176.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 168.2 -146.6 10.62 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.39 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.51 ' HA3' ' HG3' ' A' ' 57' ' ' GLU . . . 176.92 172.46 41.55 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.298 -0.953 . . . . 0.0 113.173 -178.276 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -78.19 148.83 33.86 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.841 0.353 . . . . 0.0 110.361 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.6 t -96.19 124.5 48.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.411 -175.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.503 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 45.4 mt-10 -79.24 132.88 61.61 Favored Pre-proline 0 N--CA 1.445 -0.697 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 169.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.45 -30.01 71.48 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.5 2.134 . . . . 0.0 112.256 -176.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -84.85 2.62 41.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.649 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.503 ' HG2' ' HB2' ' A' ' 45' ' ' GLU . 20.1 pt-20 -123.13 163.56 20.33 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 173.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.8 m -83.33 158.92 21.99 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.243 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -67.68 -39.35 84.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 55' ' ' VAL . 55.1 mtt180 -65.87 -36.33 83.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.3 0.572 . . . . 0.0 109.484 173.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -71.68 -40.67 69.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.297 -174.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.35 -44.23 95.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.453 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.717 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 16.9 mt -60.65 -45.58 93.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.886 0.374 . . . . 0.0 110.982 175.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 51' ' ' ARG . 44.2 t -58.62 -43.89 88.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.8 -178.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.668 ' HD3' ' N ' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -74.87 -44.93 46.3 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.329 -179.449 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.668 ' N ' ' HD3' ' A' ' 56' ' ' ARG . 10.0 mm-40 -60.29 -42.03 94.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.594 0.235 . . . . 0.0 111.429 -178.084 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.717 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 35.9 mt -70.47 -33.57 71.41 Favored 'General case' 0 C--O 1.219 -0.52 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.769 178.351 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -64.79 -37.49 87.79 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.838 0.352 . . . . 0.0 110.792 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.648 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 30.3 mt-10 -84.56 -38.29 20.15 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.545 -177.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.41 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 71.9 mm-40 -85.31 -52.18 6.07 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.605 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 57.4 mt -93.24 -21.61 19.51 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.096 -172.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.68 22.13 60.51 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 119.96 -1.114 . . . . 0.0 111.325 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.444 HG12 ' HB2' ' A' ' 62' ' ' LEU . 44.4 pt -119.57 142.36 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.162 0.506 . . . . 0.0 111.094 -177.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.444 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 47.4 mt-10 -90.18 93.16 9.25 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 174.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.86 155.29 21.8 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.017 -172.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.656 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 31.2 m -113.29 112.61 24.01 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.21 174.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.412 HG13 ' HB3' ' A' ' 89' ' ' TRP . 48.0 t -94.09 121.86 45.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 -177.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -124.14 -80.55 0.46 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.203 -0.998 . . . . 0.0 113.051 -174.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.804 ' HG2' ' HB3' ' A' ' 90' ' ' HIS . 2.0 pm0 -89.6 129.26 36.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.368 0.604 . . . . 0.0 112.253 -174.329 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -81.22 136.2 35.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.849 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.6 t -100.99 -70.96 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.56 162.13 41.55 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 120.248 -0.581 . . . . 0.0 112.031 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 70.5 m -130.33 146.16 51.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.962 176.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -135.17 139.63 44.73 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -108.59 146.26 33.6 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.278 0.561 . . . . 0.0 111.18 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -158.27 171.14 20.73 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 174.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.459 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 11.0 pt-20 -114.95 148.3 38.89 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.357 -0.937 . . . . 0.0 111.209 -177.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.601 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.7 p -122.98 95.12 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.101 175.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.1 m 48.53 65.42 1.35 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.057 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.67 2.69 88.46 Favored Glycine 0 CA--C 1.522 0.515 0 C-N-CA 121.173 -0.537 . . . . 0.0 114.211 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.738 ' HG2' ' HB2' ' A' ' 7' ' ' LYS . 78.4 mtm180 -117.39 146.47 43.41 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 117.402 0.601 . . . . 0.0 110.921 177.237 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.411 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.1 mp -101.33 115.04 42.32 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 120.817 0.342 . . . . 0.0 111.498 -176.576 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.768 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -92.94 139.06 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.732 175.652 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -125.42 100.56 6.54 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.718 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.467 ' HG ' ' HB ' ' A' ' 11' ' ' VAL . 7.1 mp -87.95 133.72 33.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.16 -178.509 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.416 ' HB2' HG12 ' A' ' 12' ' ' VAL . 39.9 m80 -116.35 115.24 25.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.167 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.558 ' HB2' HD23 ' A' ' 126' ' ' LEU . . . -89.8 110.15 21.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.99 0.424 . . . . 0.0 110.871 177.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.412 ' HB3' HG13 ' A' ' 68' ' ' VAL . 80.8 m95 -105.73 139.88 39.63 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.595 176.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.804 ' HB3' ' HG2' ' A' ' 70' ' ' GLU . 52.9 t-80 -85.04 121.01 27.2 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.15 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.505 ' HB ' ' HA ' ' A' ' 16' ' ' ILE . 61.6 t -96.37 99.77 5.89 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 174.104 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.656 ' HD2' ' O ' ' A' ' 67' ' ' THR . 31.4 Cg_endo -86.1 -11.56 6.36 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.955 2.437 . . . . 0.0 112.389 -174.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.441 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 11.7 t70 -158.41 146.24 18.24 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.423 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -148.93 146.09 27.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.443 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 59.9 t60 -107.74 120.87 43.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.983 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.03 -165.39 20.25 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.334 176.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 86.7 m -121.18 127.61 51.68 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.532 HD22 HD22 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -80.36 124.88 29.26 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.671 0.748 . . . . 0.0 111.055 -172.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.605 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 20.1 pt20 -128.05 155.84 43.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.523 -176.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -106.33 107.08 17.91 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.396 -0.522 . . . . 0.0 112.083 -176.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -80.48 -72.06 0.43 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.605 174.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.41 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 17.1 mm-40 -78.8 -18.97 53.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.925 -178.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -105.48 170.83 7.66 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -175.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -88.42 -74.25 0.47 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.201 -0.6 . . . . 0.0 111.752 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -127.22 168.24 14.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.139 -175.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.533 ' HB3' HD11 ' A' ' 23' ' ' LEU . 2.9 mm? -118.72 142.81 47.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.297 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.9 p -134.41 142.59 40.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.886 0.374 . . . . 0.0 110.776 174.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.503 ' CZ2' HD11 ' A' ' 98' ' ' LEU . 21.0 m-90 -104.09 110.67 22.94 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 175.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.7 p -134.42 154.31 51.45 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.884 -176.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.541 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 26.1 m -71.97 156.92 90.38 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.439 ' O ' HD11 ' A' ' 127' ' ' LEU . 52.0 Cg_exo -47.42 -54.9 4.46 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.274 2.649 . . . . 0.0 113.769 -176.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 112' ' ' GLU . 0.5 OUTLIER -72.82 -24.67 60.93 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.564 -174.562 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.541 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 42.2 mm-40 -66.88 -42.15 86.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.262 172.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 117' ' ' TYR . . . -57.32 -35.63 70.1 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.286 -177.377 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.724 ' HG ' HD12 ' A' ' 127' ' ' LEU . 18.4 mt -75.06 -11.77 60.17 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.634 -178.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -83.63 -12.97 55.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.292 0.568 . . . . 0.0 109.872 172.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 114' ' ' ALA . 27.8 m-85 -85.55 156.31 59.09 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.179 178.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.614 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 55.4 Cg_endo -70.89 81.53 1.09 Allowed 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.869 1.713 . . . . 0.0 111.419 176.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.561 HD12 HD23 ' A' ' 115' ' ' LEU . 79.7 mt -88.72 152.68 21.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.976 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.612 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -66.48 154.54 90.73 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.385 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -62.91 -8.23 13.29 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.685 2.257 . . . . 0.0 113.667 -175.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.445 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -98.74 -20.98 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.136 0.493 . . . . 0.0 110.37 178.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.612 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.6 m-20 -84.17 -27.9 27.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.765 -176.142 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.631 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 72.8 mt -62.98 -58.74 14.94 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.35 -176.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 9.3 Cg_endo -52.62 -34.46 63.49 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 122.896 2.397 . . . . 0.0 112.718 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.558 HD23 ' HB2' ' A' ' 88' ' ' ALA . 5.9 mp -70.52 -39.11 74.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.798 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.724 HD12 ' HG ' ' A' ' 115' ' ' LEU . 2.2 tm? -72.56 -38.58 67.92 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.631 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 38.8 mt-10 -53.6 -42.69 67.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.768 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.427 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -80.63 -20.2 43.66 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.317 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -73.1 -46.81 49.18 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.2 ptm -69.46 -32.57 71.57 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.799 175.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -57.04 -41.24 78.27 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-O 120.868 0.365 . . . . 0.0 110.899 172.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.7 -43.64 88.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.691 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -72.52 -18.36 61.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.817 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -92.45 -37.43 12.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.625 0.25 . . . . 0.0 111.671 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.302 -178.701 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 64.4 mtm -96.86 126.9 42.34 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.472 0.653 . . . . 0.0 110.593 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.594 ' HB ' HG23 ' A' ' 84' ' ' ILE . 23.0 mt -105.13 117.0 50.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.303 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -95.77 122.68 38.8 Favored 'General case' 0 C--N 1.306 -1.305 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.743 -178.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.604 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 93.1 t -124.7 124.85 68.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.442 ' CG2' ' HG ' ' A' ' 54' ' ' LEU . 2.5 m -99.16 131.3 46.69 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 CA-C-O 121.161 0.505 . . . . 0.0 110.368 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.55 129.05 55.6 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.716 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -101.11 113.59 26.75 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 121.166 0.507 . . . . 0.0 110.18 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.634 HG23 HG23 ' A' ' 22' ' ' ILE . 7.8 mt -88.89 99.66 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.216 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 176.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.78 HG13 HD23 ' A' ' 23' ' ' LEU . 2.2 mm -86.11 101.14 10.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -175.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.516 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 34.7 tt0 -103.22 113.28 26.64 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.882 -175.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 28.6 tpt180 -127.37 126.55 42.69 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.188 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 70.85 -0.71 2.91 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.722 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.35 -0.5 29.54 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.399 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 4.5 mtpt -111.64 155.74 22.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.715 0.293 . . . . 0.0 110.358 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.634 HG23 HG23 ' A' ' 15' ' ' ILE . 23.6 mt -104.5 146.91 11.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.302 -176.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.78 HD23 HG13 ' A' ' 16' ' ' ILE . 60.4 tp -88.96 119.85 29.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.318 -178.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.534 HD13 ' SG ' ' A' ' 109' ' ' CYS . 7.5 mp -114.02 137.66 51.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.861 177.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.36 120.36 37.93 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.107 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 . . . . . 0 C--N 1.325 -0.492 0 CA-C-O 121.164 0.507 . . . . 0.0 111.54 -177.328 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.239 0 CA-C-O 120.387 -0.118 . . . . 0.0 113.282 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.1 mt -76.53 148.31 37.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.806 0.336 . . . . 0.0 111.424 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.403 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 65.0 m95 -113.95 147.64 38.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.156 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -134.64 164.47 27.42 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -89.91 141.25 28.82 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.51 152.06 44.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.658 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.63 -145.39 11.03 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.033 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.79 177.7 38.78 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.379 -178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.5 ' HG2' ' N ' ' A' ' 44' ' ' VAL . 75.3 tttt -78.08 153.74 31.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.975 0.416 . . . . 0.0 110.765 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.5 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 47.0 t -109.4 126.76 66.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.793 176.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 9.1 tp10 -86.54 127.92 58.84 Favored Pre-proline 0 C--N 1.318 -0.803 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 169.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.512 ' HD2' ' OE2' ' A' ' 45' ' ' GLU . 8.7 Cg_endo -52.01 -15.53 3.45 Favored 'Trans proline' 0 CA--C 1.535 0.538 0 C-N-CA 123.073 2.515 . . . . 0.0 114.042 -175.064 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -79.05 -22.25 45.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.92 0.391 . . . . 0.0 111.186 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 13.8 pt-20 -108.26 163.97 12.72 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 177.06 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.4 m -87.08 154.29 20.87 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 -177.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -61.47 -41.01 96.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.295 -177.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.443 ' HB3' ' HB ' ' A' ' 68' ' ' VAL . 87.5 mtt180 -69.39 -33.32 72.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.917 0.389 . . . . 0.0 110.241 176.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -72.4 -40.79 66.94 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.468 -175.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -59.65 -43.84 93.74 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.422 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.716 HD22 ' HB2' ' A' ' 14' ' ' ALA . 15.8 mt -59.65 -44.05 93.68 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.001 0.429 . . . . 0.0 110.799 174.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 51' ' ' ARG . 34.3 t -60.51 -42.23 90.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.23 -177.364 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 53' ' ' ALA . 5.6 ppt_? -75.86 -42.88 48.15 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.109 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -60.25 -44.46 95.23 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 37.6 mt -68.3 -32.17 72.12 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.412 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.451 ' O ' ' HA2' ' A' ' 63' ' ' GLY . 32.2 ttt180 -63.41 -33.81 76.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.374 0.606 . . . . 0.0 110.57 178.018 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -89.04 -38.48 14.36 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.015 -176.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.604 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 63.9 mm-40 -85.65 -51.14 6.66 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.601 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.526 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 58.1 mt -94.52 -20.54 19.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.758 -174.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . 80.07 24.65 59.23 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.235 -0.983 . . . . 0.0 111.156 175.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.519 HD12 ' HB2' ' A' ' 94' ' ' PHE . 29.2 pt -124.86 146.31 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.397 0.618 . . . . 0.0 111.706 -176.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -90.23 98.58 11.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.091 174.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 94' ' ' PHE . . . -89.2 151.34 22.22 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.285 0.564 . . . . 0.0 112.183 -171.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.687 ' HB ' ' HB3' ' A' ' 93' ' ' ASP . 29.8 m -112.03 103.63 11.84 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.875 173.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.443 ' HB ' ' HB3' ' A' ' 51' ' ' ARG . 36.7 t -87.5 127.55 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.554 -175.079 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -125.19 -89.75 0.8 Allowed Glycine 0 CA--C 1.522 0.476 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.93 -172.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.563 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 5.9 pt-20 -91.41 133.82 35.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.557 0.694 . . . . 0.0 112.79 -169.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.638 ' OH ' ' HB2' ' A' ' 74' ' ' SER . 23.6 t80 -87.63 133.31 33.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.926 -1.033 . . . . 0.0 111.33 -174.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -94.26 -70.66 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.199 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -176.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -161.8 178.61 8.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.847 0.356 . . . . 0.0 111.672 -177.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.638 ' HB2' ' OH ' ' A' ' 71' ' ' TYR . 12.9 t -139.95 151.81 45.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.595 178.283 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -130.48 137.84 49.97 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -105.36 140.33 38.64 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.251 0.548 . . . . 0.0 111.276 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.474 ' HG3' HG13 ' A' ' 84' ' ' ILE . 19.3 ptt180 -155.86 175.12 14.36 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 176.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -119.05 151.64 37.88 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 119.639 -0.824 . . . . 0.0 111.692 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.67 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.7 p -123.34 95.03 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 170.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.5 p 46.2 70.84 0.34 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.872 -174.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.21 -23.08 5.56 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 121.176 -0.535 . . . . 0.0 114.21 176.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.406 ' HB2' HG13 ' A' ' 79' ' ' VAL . 85.5 mtt180 -92.36 130.81 37.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.356 -0.496 . . . . 0.0 110.574 -178.216 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.9 mp -90.26 116.5 31.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.981 0.419 . . . . 0.0 110.384 -174.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.67 HD11 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -91.17 134.4 29.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.77 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -113.55 97.47 6.46 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.088 -0.96 . . . . 0.0 108.55 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.604 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 5.6 mp -89.59 117.72 28.69 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.783 -176.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.477 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . 90.7 m-70 -101.52 114.49 28.55 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.112 -178.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.32 113.56 25.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.957 0.408 . . . . 0.0 109.934 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.21 138.81 43.86 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.15 -178.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.563 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 15.1 t-160 -84.83 108.34 17.45 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.3 t -91.51 106.02 15.12 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.815 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.497 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 70.9 Cg_endo -89.73 -14.07 2.53 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 123.084 2.523 . . . . 0.0 113.216 -176.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.687 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 38.5 t70 -145.54 137.61 25.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.995 0.426 . . . . 0.0 111.566 -174.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.519 ' HB2' HD12 ' A' ' 64' ' ' ILE . 49.9 p90 -149.72 143.47 25.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.815 177.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -119.19 120.69 37.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.564 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 128.54 -163.25 22.07 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.027 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.6 m -118.5 115.27 24.26 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.788 HD12 HD23 ' A' ' 106' ' ' LEU . 0.2 OUTLIER -68.53 126.18 28.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.051 -175.902 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.526 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.2 pt20 -128.92 163.05 26.13 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.495 -176.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.57 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -106.61 100.22 9.75 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.098 177.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.403 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 34.8 t-80 -80.03 -74.39 0.31 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.858 178.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.604 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 5.5 mm-40 -82.93 -2.64 55.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.553 0.692 . . . . 0.0 110.719 178.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -111.07 161.06 16.29 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.033 -0.985 . . . . 0.0 108.446 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -96.65 -52.06 4.07 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.183 -176.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.99 159.44 24.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.206 -177.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.788 HD23 HD12 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -135.96 125.15 24.57 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.125 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.9 p -134.55 147.22 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.026 0.441 . . . . 0.0 111.726 -176.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 2.1 m0 -102.92 113.32 26.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.986 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.534 ' SG ' HD13 ' A' ' 24' ' ' LEU . 26.0 p -132.95 153.64 51.23 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 175.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.581 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 7.0 m -71.87 163.62 65.21 Favored Pre-proline 0 C--N 1.317 -0.821 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.087 -174.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.581 ' HD2' ' HB3' ' A' ' 110' ' ' SER . 6.4 Cg_endo -48.16 -55.31 4.15 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.28 2.653 . . . . 0.0 113.966 -175.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -69.19 -29.87 67.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.985 0.421 . . . . 0.0 110.298 -177.179 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.401 ' O ' ' HD1' ' A' ' 117' ' ' TYR . 5.4 mm-40 -65.71 -42.68 90.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.503 176.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.37 -44.28 97.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.693 -176.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.663 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -73.13 -16.21 61.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.958 0.409 . . . . 0.0 110.565 -176.587 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -88.77 2.74 52.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.098 0.475 . . . . 0.0 110.746 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.401 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 8.9 m-85 -98.34 161.29 25.81 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.554 172.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.11 87.53 0.6 Allowed 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 121.885 1.723 . . . . 0.0 112.115 176.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.448 HD12 HD22 ' A' ' 115' ' ' LEU . 67.6 mt -94.64 153.42 17.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.575 178.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.537 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -65.78 153.68 90.53 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.689 177.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.86 -21.33 32.73 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.539 2.826 . . . . 0.0 114.153 -175.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.474 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -91.47 -26.86 18.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.987 0.422 . . . . 0.0 110.968 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.537 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.9 m-20 -79.94 -27.08 39.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.795 -175.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.662 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 83.2 mt -61.4 -60.13 11.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.098 -177.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.457 ' HD3' ' HB ' ' A' ' 124' ' ' ILE . 27.2 Cg_endo -61.27 -27.34 83.25 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.442 2.095 . . . . 0.0 112.633 -176.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 94.4 mt -71.34 -42.22 68.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.253 0.549 . . . . 0.0 109.794 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.663 ' HB3' HD23 ' A' ' 115' ' ' LEU . 2.9 tm? -74.01 -35.9 64.44 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.563 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.662 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 36.3 mt-10 -54.9 -39.0 68.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 177.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.53 -29.05 41.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.889 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -67.99 -45.05 75.21 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -67.06 -33.44 75.51 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.606 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.76 83.48 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.718 0.294 . . . . 0.0 111.2 173.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.36 -46.24 87.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.993 0.425 . . . . 0.0 110.343 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -72.37 -22.17 61.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.109 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -84.43 -36.26 22.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.192 0.52 . . . . 0.0 110.704 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.035 -179.38 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 mptt . . . . . 0 CA--C 1.515 -0.401 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 88.5 mtp -99.23 130.74 45.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.285 0.564 . . . . 0.0 110.218 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.779 ' HB ' HG23 ' A' ' 84' ' ' ILE . 44.1 mt -105.37 110.95 32.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -95.13 122.87 38.25 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -173.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.447 ' HB ' ' HG ' ' A' ' 86' ' ' LEU . 82.5 t -122.48 135.29 63.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -177.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.445 ' CG2' ' HG ' ' A' ' 54' ' ' LEU . 3.4 m -105.85 131.56 55.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.056 175.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.0 128.74 55.94 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.975 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.509 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.28 108.38 19.72 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.256 -177.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.464 HG23 ' CG2' ' A' ' 22' ' ' ILE . 6.9 mt -93.41 98.87 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.905 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 177.075 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.887 HG12 HG21 ' A' ' 91' ' ' VAL . 18.3 mt -92.34 106.18 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -175.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.473 ' HB3' ' HE2' ' A' ' 90' ' ' HIS . 30.8 tt0 -112.99 129.67 56.41 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.617 -174.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -133.73 120.34 20.45 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 69.38 13.14 8.44 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.727 0.642 . . . . 0.0 111.723 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.6 6.24 54.92 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.141 -1.028 . . . . 0.0 112.5 -178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 12.2 mttp -115.79 142.77 46.31 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 176.152 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.527 HG21 ' HE1' ' A' ' 39' ' ' PHE . 32.6 mt -102.94 148.08 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.432 -175.205 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.582 HD11 ' HG ' ' A' ' 106' ' ' LEU . 40.9 tp -87.3 119.28 27.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.159 0.504 . . . . 0.0 111.162 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.0 mp -112.25 139.46 47.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.815 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 103' ' ' HIS . . . -120.42 117.99 29.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.084 0.468 . . . . 0.0 111.162 -179.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.595 -177.653 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.61 0 N-CA-C 112.154 -0.378 . . . . 0.0 112.154 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.438 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 6.1 mp -82.73 151.19 26.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.905 0.383 . . . . 0.0 111.279 176.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.412 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 45.9 m95 -118.65 152.49 35.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.649 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -147.38 166.63 26.58 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.527 ' HE1' HG21 ' A' ' 22' ' ' ILE . 96.6 m-85 -81.49 151.83 27.62 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 177.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.24 169.45 18.31 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.332 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 146.09 -142.05 10.2 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.865 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.46 ' HA3' ' HG3' ' A' ' 57' ' ' GLU . . . 170.63 175.9 39.63 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.095 -178.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -78.29 153.49 31.73 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.787 0.327 . . . . 0.0 110.572 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.51 109.53 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.811 ' HG3' ' HD2' ' A' ' 46' ' ' PRO . 2.8 tp10 -85.63 150.13 52.99 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.811 ' HD2' ' HG3' ' A' ' 45' ' ' GLU . 30.3 Cg_endo -64.0 11.54 0.1 Allowed 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 122.942 2.428 . . . . 0.0 114.198 -177.36 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 45' ' ' GLU . 5.9 m-20 -115.08 11.19 16.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.076 0.465 . . . . 0.0 110.58 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -145.6 171.07 15.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.936 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.1 t -105.5 163.57 12.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.832 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -58.71 -49.01 79.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.503 -176.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.482 ' O ' HG23 ' A' ' 55' ' ' VAL . 52.1 mtt180 -60.27 -39.68 87.71 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.422 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -68.95 -42.04 77.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.117 -176.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.96 -48.99 79.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.999 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.725 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 24.3 mt -59.62 -46.81 87.88 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 121.001 0.429 . . . . 0.0 110.698 178.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 51' ' ' ARG . 43.3 t -59.52 -49.75 82.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.409 -177.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.513 ' HG3' ' N ' ' A' ' 57' ' ' GLU . 8.0 ptt180 -68.58 -44.0 75.34 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.356 -176.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.513 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 5.7 mm-40 -63.16 -41.34 99.24 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.177 -0.209 . . . . 0.0 111.44 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.725 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 30.5 mt -69.83 -33.87 72.9 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 120.409 -0.516 . . . . 0.0 109.843 177.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.454 ' HD2' ' OE2' ' A' ' 65' ' ' GLU . 19.1 ttt180 -58.07 -37.35 74.29 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.447 174.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -88.43 -37.39 15.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.687 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 27.7 mm-40 -87.51 -50.47 6.51 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.676 0.251 . . . . 0.0 111.676 -178.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.656 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 39.5 mt -103.38 7.36 38.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.581 -171.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 47.22 37.11 10.68 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 115.191 0.837 . . . . 0.0 115.191 -177.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.471 HD12 ' HB2' ' A' ' 94' ' ' PHE . 35.5 pt -131.6 145.89 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 118.116 0.958 . . . . 0.0 112.122 178.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.585 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 20.2 mm-40 -90.72 104.07 16.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 172.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.707 ' HB1' ' HH2' ' A' ' 89' ' ' TRP . . . -86.15 149.37 25.17 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.07 0.462 . . . . 0.0 111.847 -174.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 89.1 m -107.05 104.29 13.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.363 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.623 ' HA ' ' CZ2' ' A' ' 89' ' ' TRP . 30.8 t -84.15 133.2 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.772 -0.195 . . . . 0.0 110.764 -175.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 174.11 63.93 0.05 OUTLIER Glycine 0 C--N 1.336 0.556 0 C-N-CA 119.738 -1.22 . . . . 0.0 114.729 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.409 ' CD ' ' HD1' ' A' ' 90' ' ' HIS . 11.8 pt-20 162.62 105.48 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.777 0.831 . . . . 0.0 110.581 176.23 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.675 ' HE1' ' HB3' ' A' ' 87' ' ' HIS . 48.0 t80 -86.73 130.14 34.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.198 -176.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.485 HG13 HD22 ' A' ' 133' ' ' LEU . 87.8 t -95.79 -71.25 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.19 -178.99 7.49 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.562 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.536 ' HB3' ' OH ' ' A' ' 71' ' ' TYR . 9.6 p -144.09 153.78 42.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.814 0.34 . . . . 0.0 110.996 177.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -137.66 137.49 38.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.681 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -101.64 144.28 30.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.23 0.538 . . . . 0.0 111.47 176.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.613 ' HG3' HG13 ' A' ' 84' ' ' ILE . 27.1 ptt180 -153.94 174.13 15.04 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 171.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -124.13 151.57 43.79 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 119.629 -0.828 . . . . 0.0 111.214 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.607 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.7 p -121.67 94.39 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 173.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.4 m 48.51 70.03 0.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.747 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.61 -23.38 8.84 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 120.838 -0.696 . . . . 0.0 114.712 176.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -98.3 135.97 39.15 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 117.944 0.872 . . . . 0.0 110.94 -177.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.2 mp -93.39 113.16 27.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.932 0.396 . . . . 0.0 110.492 -172.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.779 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -90.98 135.51 26.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.27 178.023 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -124.06 100.61 6.81 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.976 -175.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.489 HD22 ' HB1' ' A' ' 122' ' ' ALA . 7.3 mp -88.21 130.15 35.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.509 -177.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.675 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . 35.3 m80 -109.63 114.16 27.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.689 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.67 120.89 31.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.045 0.45 . . . . 0.0 111.051 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.707 ' HH2' ' HB1' ' A' ' 66' ' ' ALA . 3.3 t90 -119.4 132.62 55.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.52 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.474 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 39.5 t-80 -85.03 127.07 34.05 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 176.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.887 HG21 HG12 ' A' ' 16' ' ' ILE . 41.9 t -87.82 109.9 30.76 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 120.694 0.283 . . . . 0.0 110.549 -174.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 55.7 Cg_endo -73.75 -35.43 4.51 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.762 2.308 . . . . 0.0 112.032 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -152.71 144.01 23.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.156 -175.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.471 ' HB2' HD12 ' A' ' 64' ' ' ILE . 41.1 p90 -143.52 134.6 25.63 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.273 177.337 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.585 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 56.2 t-80 -93.04 120.67 33.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.604 177.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.35 -156.72 15.46 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.312 176.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 89.1 m -128.11 139.12 52.69 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.564 HD13 ' H ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -76.86 125.28 29.03 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.49 0.662 . . . . 0.0 110.516 -174.563 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.656 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 20.9 pt20 -124.43 164.56 19.45 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.274 -0.875 . . . . 0.0 108.901 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.634 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -113.23 107.51 16.0 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.36 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.547 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 34.3 t-80 -86.08 -78.89 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.659 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.687 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 19.6 mm-40 -75.46 -42.83 52.24 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.298 0.571 . . . . 0.0 110.464 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.569 ' O ' ' HB1' ' A' ' 100' ' ' ALA . 59.3 m80 -74.34 152.71 39.54 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.113 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -94.23 -70.89 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -170.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -98.14 154.06 18.01 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 121.224 -0.191 . . . . 0.0 110.674 -176.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.634 HD13 ' HB2' ' A' ' 100' ' ' ALA . 1.1 tp -131.45 127.14 36.8 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -178.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.2 p -133.7 146.34 32.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.863 0.364 . . . . 0.0 111.48 -178.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.426 ' CZ2' HD21 ' A' ' 98' ' ' LEU . 4.4 m-90 -105.29 119.36 38.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.774 170.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 26.0 p -137.94 156.19 48.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.807 0.336 . . . . 0.0 110.366 175.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.1 m -65.3 153.79 88.92 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.791 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.513 ' O ' HD11 ' A' ' 127' ' ' LEU . 1.6 Cg_endo -45.97 -52.93 6.36 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.372 2.715 . . . . 0.0 113.46 -176.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.33 -28.59 66.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.878 0.37 . . . . 0.0 110.928 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -71.78 -32.71 67.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.605 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.36 99.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.226 177.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.679 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -72.47 -15.36 61.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.022 -177.088 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -84.96 -5.41 59.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.034 0.445 . . . . 0.0 110.56 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -93.94 163.18 24.65 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.755 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.438 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 54.3 Cg_endo -72.06 77.69 1.93 Allowed 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.223 1.948 . . . . 0.0 112.188 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.512 HD12 HD22 ' A' ' 115' ' ' LEU . 72.3 mt -84.89 153.51 22.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.822 175.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.489 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -69.88 156.21 92.16 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.709 178.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.413 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 24.8 Cg_endo -61.32 -8.52 10.65 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.116 2.544 . . . . 0.0 113.327 -177.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.489 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -93.49 -33.36 13.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.871 0.367 . . . . 0.0 110.234 177.13 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.489 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 3.3 m-20 -81.9 -28.86 32.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.425 -173.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.595 HG23 HD11 ' A' ' 115' ' ' LEU . 93.7 mt -60.29 -57.27 27.89 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.681 -175.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 18.6 Cg_endo -61.39 -24.98 79.44 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.208 1.939 . . . . 0.0 112.719 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.1 mt -71.62 -41.11 69.27 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.074 0.464 . . . . 0.0 109.836 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.679 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.4 tm? -73.04 -39.53 65.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.072 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -53.92 -41.47 67.71 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.597 0.237 . . . . 0.0 111.076 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.427 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -81.43 -23.13 37.72 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.25 179.005 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.402 ' HE1' ' HB2' ' A' ' 90' ' ' HIS . 84.3 t80 -67.69 -48.6 66.12 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.0 ptm -71.83 -30.46 65.5 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.694 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -59.64 -40.97 89.38 Favored 'General case' 0 C--N 1.338 0.082 0 CA-C-O 120.838 0.351 . . . . 0.0 111.049 173.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.485 HD22 HG13 ' A' ' 72' ' ' VAL . 3.5 mp -64.64 -35.39 80.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -84.03 -23.41 30.93 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.569 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.14 -39.46 12.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.753 0.311 . . . . 0.0 111.175 -176.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.071 -179.233 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.2 tptp . . . . . 0 N--CA 1.451 -0.387 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.9 mtm -96.03 135.67 37.5 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.321 0.581 . . . . 0.0 110.484 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.678 ' HB ' HG23 ' A' ' 84' ' ' ILE . 28.4 mt -104.89 106.88 21.3 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 176.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -90.5 123.98 34.63 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -174.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 57.6 t -127.22 125.22 65.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.406 HG11 ' HB3' ' A' ' 50' ' ' GLN . 2.9 m -98.86 131.86 45.26 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 177.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.28 130.16 56.83 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.594 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.54 114.3 28.39 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.145 0.498 . . . . 0.0 109.944 -178.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.502 HG23 HG23 ' A' ' 22' ' ' ILE . 5.5 mt -92.23 98.3 8.21 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.275 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 176.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.49 HD12 HD23 ' A' ' 23' ' ' LEU . 44.9 mt -89.94 103.4 14.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.461 -0.79 . . . . 0.0 108.904 -177.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 3.7 tm-20 -118.07 126.69 52.77 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.959 -173.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -139.66 130.99 26.76 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.852 -1.067 . . . . 0.0 108.472 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 68.86 14.57 8.92 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.601 0.563 . . . . 0.0 112.015 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.65 8.72 63.57 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.309 -0.948 . . . . 0.0 111.725 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.513 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 mmtp -118.61 138.54 52.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.699 0.285 . . . . 0.0 110.255 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.511 HG21 ' HE1' ' A' ' 39' ' ' PHE . 49.4 mt -104.11 149.61 7.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.322 -176.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 106' ' ' LEU . 33.3 tp -87.06 115.66 24.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.084 0.469 . . . . 0.0 111.066 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.445 HD23 HD21 ' A' ' 119' ' ' LEU . 5.9 mp -111.06 135.4 51.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.367 176.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.23 122.45 43.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.698 0.285 . . . . 0.0 110.964 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.497 -177.74 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 112.578 -0.209 . . . . 0.0 112.578 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' A' ' 118' ' ' PRO . 2.3 mm? -74.57 147.13 41.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.918 0.39 . . . . 0.0 111.293 -177.344 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.512 ' HD1' ' HG2' ' A' ' 118' ' ' PRO . 65.7 m95 -113.71 145.02 41.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.763 177.168 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -139.78 155.73 47.14 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.511 ' HE1' HG21 ' A' ' 22' ' ' ILE . 93.0 m-85 -73.74 138.1 44.4 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 175.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.13 154.13 42.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.895 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 161.74 -133.63 3.22 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.406 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.73 174.32 36.59 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.134 -1.031 . . . . 0.0 113.314 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.5 tttm -77.87 149.8 34.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.958 0.409 . . . . 0.0 110.548 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.42 HG21 HE21 ' A' ' 50' ' ' GLN . 44.0 t -101.81 141.36 18.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.465 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.551 ' HG3' ' HD2' ' A' ' 46' ' ' PRO . 4.2 tp10 -110.0 148.29 37.98 Favored Pre-proline 0 C--N 1.319 -0.73 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.551 ' HD2' ' HG3' ' A' ' 45' ' ' GLU . 30.7 Cg_endo -64.78 10.81 0.13 Allowed 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 122.607 2.205 . . . . 0.0 112.631 174.166 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 45' ' ' GLU . 10.6 t70 -98.54 -18.65 18.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.553 0.692 . . . . 0.0 109.869 178.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -129.69 164.81 23.14 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.675 -173.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.7 m -88.56 157.21 18.68 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.42 HE21 HG21 ' A' ' 44' ' ' VAL . 10.1 mt-30 -67.9 -33.91 75.61 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.458 -174.055 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -70.12 -38.01 75.46 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -65.03 -37.63 88.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.83 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.13 -46.45 90.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.575 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.666 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 23.7 mt -61.89 -46.72 88.16 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.49 177.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.5 t -56.94 -49.86 77.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.046 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.562 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.1 ppt_? -70.04 -43.69 70.77 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.414 -178.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.71 -46.59 89.03 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 38.9 mt -66.4 -33.58 76.04 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.325 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -64.48 -33.43 75.88 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.845 0.355 . . . . 0.0 111.055 175.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.562 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 22.8 mt-10 -87.02 -34.91 19.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.395 -178.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.611 ' CD ' ' HB2' ' A' ' 102' ' ' GLU . 2.2 mt-10 -87.31 -53.76 4.66 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 178.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.781 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 34.8 mt -101.25 6.03 42.75 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.255 -168.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.79 24.48 33.48 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 121.118 -0.563 . . . . 0.0 114.052 -176.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.585 HG12 ' HB2' ' A' ' 62' ' ' LEU . 46.5 pt -126.15 135.72 62.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 117.619 0.71 . . . . 0.0 111.537 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.538 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 32.4 mt-10 -94.16 98.5 11.01 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 176.145 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.89 157.09 27.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.495 -171.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.452 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 56.9 m -107.42 105.95 16.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.278 -0.873 . . . . 0.0 108.66 174.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.0 t -79.33 129.5 37.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -137.51 -85.74 0.16 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.509 -0.853 . . . . 0.0 113.378 -177.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.61 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 5.8 pt-20 -88.56 126.06 35.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.775 0.798 . . . . 0.0 113.129 -169.459 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.414 ' HD1' ' CE2' ' A' ' 89' ' ' TRP . 14.1 t80 -77.74 132.15 37.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.793 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.8 t -97.04 -70.86 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.6 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -161.68 -177.15 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.837 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.9 m -149.18 156.16 41.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.737 0.303 . . . . 0.0 111.048 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -141.0 145.1 35.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.498 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -109.8 142.37 41.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.259 175.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.671 ' HG3' HG13 ' A' ' 84' ' ' ILE . 27.4 ptt180 -151.8 173.77 14.36 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 172.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -124.63 151.71 44.53 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 119.3 -0.96 . . . . 0.0 112.147 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.504 ' HB ' HD11 ' A' ' 84' ' ' ILE . 3.2 p -124.19 94.76 2.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 114.812 -1.086 . . . . 0.0 108.63 172.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.0 m 51.87 66.64 1.14 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.848 -177.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.84 -20.54 6.35 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 120.724 -0.75 . . . . 0.0 114.246 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.433 ' HB2' HG13 ' A' ' 79' ' ' VAL . 90.5 mtt180 -92.36 132.32 36.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.458 0.629 . . . . 0.0 109.986 -178.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mp -92.57 113.94 28.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.704 0.288 . . . . 0.0 110.471 -174.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.678 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -89.7 129.92 39.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.361 0.601 . . . . 0.0 109.951 177.458 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -119.12 99.5 6.76 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.81 -173.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.585 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.1 mp -91.38 127.78 36.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.61 -176.024 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -112.01 116.33 30.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.668 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.31 116.43 28.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.066 0.46 . . . . 0.0 111.246 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.414 ' CE2' ' HD1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -108.11 142.27 38.57 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.054 176.007 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.61 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 10.5 t-160 -91.69 120.69 32.67 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.151 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.3 t -90.25 112.42 52.55 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.277 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.452 ' HD2' ' O ' ' A' ' 67' ' ' THR . 61.4 Cg_endo -75.93 -30.73 5.64 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.906 2.404 . . . . 0.0 112.697 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -158.57 152.27 23.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.053 -176.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.458 ' HB2' ' HB ' ' A' ' 64' ' ' ILE . 34.6 p90 -140.39 139.41 35.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.332 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.538 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 18.9 t60 -91.1 119.69 31.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.302 175.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.99 -164.54 12.23 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.624 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.6 m -122.55 126.24 47.36 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.589 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -76.2 124.06 26.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.986 0.898 . . . . 0.0 111.979 -171.417 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.781 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 10.4 pt20 -135.57 167.43 21.11 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.469 -1.241 . . . . 0.0 109.327 -177.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -105.64 126.43 52.14 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.07 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.574 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 68.7 t60 -113.93 -62.67 1.56 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.49 177.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.611 ' HB2' ' CD ' ' A' ' 61' ' ' GLU . 14.3 mm-40 -81.99 -33.08 30.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.267 0.556 . . . . 0.0 109.724 177.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -87.63 171.84 10.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.455 173.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -96.48 -67.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -174.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -124.26 162.67 23.23 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.253 -0.179 . . . . 0.0 110.922 -177.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.521 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.8 mm? -120.08 138.53 53.49 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.1 p -131.42 135.43 59.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 171.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.49 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 1.4 p90 -107.41 115.06 29.49 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.505 0.669 . . . . 0.0 110.194 176.619 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.42 ' SG ' HD13 ' A' ' 24' ' ' LEU . 12.0 p -145.04 156.72 44.09 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.884 -175.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 p -72.22 160.59 82.33 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -175.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.535 ' O ' HD11 ' A' ' 127' ' ' LEU . 7.1 Cg_endo -50.15 -41.29 50.0 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 123.006 2.47 . . . . 0.0 113.239 -178.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.07 -37.76 88.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.359 . . . . 0.0 110.826 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.44 ' O ' ' HD1' ' A' ' 117' ' ' TYR . 14.0 mm-40 -72.34 -41.59 66.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.75 178.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.22 -37.75 75.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.755 -173.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.649 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -75.81 -9.91 58.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.695 0.283 . . . . 0.0 111.438 -177.143 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -95.85 1.43 53.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.141 0.496 . . . . 0.0 110.419 174.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.44 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 25.6 m-85 -91.66 158.21 40.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.269 173.13 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.512 ' HG2' ' HD1' ' A' ' 37' ' ' TRP . 42.0 Cg_endo -69.14 75.32 0.96 Allowed 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.254 1.969 . . . . 0.0 112.229 176.317 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.453 ' HB3' ' HB2' ' A' ' 123' ' ' ASP . 65.2 mt -81.06 152.59 27.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.089 176.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.542 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -69.95 158.91 86.11 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.52 177.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.464 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 14.1 Cg_endo -57.19 -15.4 18.17 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.181 2.587 . . . . 0.0 113.278 -178.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.529 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -93.05 -28.63 16.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.82 0.343 . . . . 0.0 110.807 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.542 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 2.2 m-20 -82.2 -28.33 32.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.292 -174.081 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.44 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 79.6 mt -60.41 -58.42 19.49 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.976 -176.508 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.44 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 20.2 Cg_endo -60.67 -27.91 85.64 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.557 2.171 . . . . 0.0 112.801 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 90.0 mt -70.79 -43.89 67.75 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.19 0.519 . . . . 0.0 109.869 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.649 ' HB3' HD23 ' A' ' 115' ' ' LEU . 2.8 tm? -73.55 -36.38 65.62 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.843 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -55.24 -41.8 72.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 0.0 110.833 176.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.75 -26.56 49.96 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.472 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -67.64 -44.57 77.62 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 15.6 ptp -67.15 -38.25 85.18 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -55.17 -43.73 74.58 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.145 0.498 . . . . 0.0 111.159 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.8 mp -63.91 -33.48 75.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.644 -177.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 134' ' ' ARG . 29.4 mtp180 -93.06 -20.86 20.13 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -176.328 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -95.44 -40.48 9.46 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.384 -178.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.295 178.84 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? . . . . . 0 CA--C 1.519 -0.214 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.1 mtp -102.97 138.2 40.16 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.797 0.808 . . . . 0.0 112.123 -175.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.677 ' HB ' HG23 ' A' ' 84' ' ' ILE . 35.2 mt -112.99 112.81 42.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 114.297 -1.32 . . . . 0.0 108.434 176.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -98.18 122.21 41.05 Favored 'General case' 0 C--N 1.31 -1.135 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.934 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.656 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 93.1 t -124.09 121.64 62.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -175.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.44 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -99.13 133.58 41.31 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.307 -179.497 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.59 126.31 54.05 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.616 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.99 119.17 38.37 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.204 0.526 . . . . 0.0 110.158 -177.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.461 HG23 ' CG2' ' A' ' 22' ' ' ILE . 5.6 mt -89.55 101.82 12.49 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.634 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 3.1 mm -83.32 107.43 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -177.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 18.0 tt0 -113.26 112.09 23.15 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.369 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.409 ' HG3' ' OD1' ' A' ' 19' ' ' ASP . 5.2 tpm_? -126.6 118.69 25.34 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' OD1' ' HG3' ' A' ' 18' ' ' ARG . 4.4 m-20 69.77 20.96 6.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.914 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.26 3.52 69.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.341 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 8.2 mttp -114.59 144.22 43.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.746 0.308 . . . . 0.0 110.857 -179.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.634 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 19.8 mt -103.55 145.11 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.537 -174.349 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.88 ' HG ' HD22 ' A' ' 106' ' ' LEU . 18.5 tp -86.03 110.11 19.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.977 -177.055 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.657 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 29.2 mt -103.83 135.32 45.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.943 175.01 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.707 ' HB1' ' HB3' ' A' ' 103' ' ' HIS . . . -116.32 128.7 55.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.68 0.276 . . . . 0.0 111.592 -178.058 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.117 176.8 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 120.066 -0.297 . . . . 0.0 113.486 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' ' 118' ' ' PRO . 1.5 mm? -75.49 146.4 40.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 117.584 0.692 . . . . 0.0 110.709 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.657 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 30.6 m95 -118.51 154.06 33.15 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.4 ' OE2' ' ND1' ' A' ' 103' ' ' HIS . 17.3 pt-20 -138.69 172.24 13.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.534 -176.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.561 ' HE1' HG21 ' A' ' 22' ' ' ILE . 97.7 m-85 -90.35 119.08 30.35 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 168.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.71 148.74 23.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.657 -176.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.06 -129.94 1.97 Allowed Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.496 ' HA3' ' OE2' ' A' ' 57' ' ' GLU . . . 160.21 -149.64 19.2 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.637 178.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -113.09 149.82 32.95 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.95 0.405 . . . . 0.0 110.436 -174.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.6 t -95.47 117.81 40.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.972 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.581 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 22.7 mm-40 -79.87 146.55 64.33 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 175.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.21 -5.97 10.61 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.433 2.089 . . . . 0.0 112.114 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -93.34 -16.56 24.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.361 0.6 . . . . 0.0 110.579 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.581 ' HG2' ' HB2' ' A' ' 45' ' ' GLU . 23.4 pt-20 -127.31 160.18 32.15 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.467 -172.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 m -81.56 165.4 21.17 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.908 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -63.34 -43.65 97.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.657 0.265 . . . . 0.0 111.176 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.474 ' O ' HG23 ' A' ' 55' ' ' VAL . 54.1 mtm180 -70.04 -34.01 72.69 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -66.56 -41.65 88.29 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -57.77 -51.06 71.12 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.208 177.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.715 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 20.3 mt -58.26 -46.98 85.01 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 111.176 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 51' ' ' ARG . 54.8 t -58.31 -44.02 87.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.122 -177.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.611 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 8.3 ppt_? -78.0 -40.12 40.09 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.149 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.496 ' OE2' ' HA3' ' A' ' 42' ' ' GLY . 6.5 mm-40 -57.02 -45.6 82.99 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.956 0.408 . . . . 0.0 110.852 176.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 37.9 mt -70.4 -30.71 67.67 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.252 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 59' ' ' ARG . 23.1 ttt180 -62.71 -38.21 89.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.029 0.442 . . . . 0.0 110.512 173.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.611 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 26.6 mt-10 -80.49 -43.55 20.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.58 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 5.7 mm-40 -92.12 -33.03 14.92 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -174.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.678 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 64.1 mt -114.26 4.34 15.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -174.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.41 27.92 26.7 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 114.542 0.577 . . . . 0.0 114.542 -175.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.451 HG23 ' HA ' ' A' ' 98' ' ' LEU . 46.3 pt -129.64 141.75 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-N 117.984 0.892 . . . . 0.0 111.088 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.598 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 33.7 mt-10 -93.26 96.93 10.29 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 171.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.409 ' O ' HG22 ' A' ' 55' ' ' VAL . . . -78.19 158.35 29.05 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.146 0.498 . . . . 0.0 111.373 -174.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.62 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 26.4 m -111.38 105.96 14.75 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.33 129.48 45.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -175.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.21 62.19 0.12 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 119.704 -1.236 . . . . 0.0 113.481 -176.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.596 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 12.9 pt-20 165.39 147.24 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.297 0.639 . . . . 0.0 110.299 -177.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -104.51 124.57 49.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.249 -171.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.426 HG13 ' HA ' ' A' ' 130' ' ' PHE . 91.9 t -94.5 -70.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.479 -0.489 . . . . 0.0 111.0 171.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.4 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . . . -163.34 173.5 13.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.182 178.195 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.8 m -136.12 148.76 48.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.127 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -139.7 133.5 30.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.008 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.518 ' HG2' ' HA ' ' A' ' 85' ' ' HIS . 24.3 mt-30 -115.27 144.51 43.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.382 0.61 . . . . 0.0 111.763 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -157.11 175.19 14.4 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -118.73 152.71 35.64 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.439 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.651 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.6 p -120.95 93.7 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 170.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.5 m 46.46 65.61 1.16 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.258 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.13 -23.19 22.31 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.972 -0.633 . . . . 0.0 113.935 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.531 ' HB2' HG13 ' A' ' 79' ' ' VAL . 48.5 mtt180 -93.64 130.06 39.7 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.194 -0.592 . . . . 0.0 110.251 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.06 115.78 30.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.087 0.47 . . . . 0.0 110.378 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.677 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -92.19 130.59 41.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.81 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.518 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 12.4 t-80 -114.32 101.29 9.03 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.421 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.656 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.1 mp -93.29 119.29 32.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.858 0.361 . . . . 0.0 110.409 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -111.63 115.29 28.9 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.58 113.19 24.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -106.38 149.94 26.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.413 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.596 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 16.2 t-80 -103.03 134.47 46.42 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 176.28 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.518 HG21 HD13 ' A' ' 16' ' ' ILE . 16.3 m -99.76 103.43 21.76 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-O 121.219 0.533 . . . . 0.0 111.088 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.62 ' HD2' ' O ' ' A' ' 67' ' ' THR . 20.6 Cg_endo -62.29 -21.92 73.35 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 123.223 2.615 . . . . 0.0 113.039 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -158.74 172.49 18.16 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 111.147 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.59 166.12 33.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.37 178.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.598 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 17.1 t60 -126.42 119.36 27.06 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.12 -157.48 14.93 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.737 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.7 m -126.14 131.13 52.12 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.451 ' HA ' HG23 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -76.11 118.18 18.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.605 0.716 . . . . 0.0 111.456 -171.863 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.678 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 14.1 pt20 -125.68 166.3 17.02 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.613 -1.176 . . . . 0.0 108.993 -179.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.809 ' HB1' ' O ' ' A' ' 103' ' ' HIS . . . -109.52 116.1 31.15 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.204 -176.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.58 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 20.6 t-80 -91.33 -82.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.648 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.436 ' HG3' ' ND1' ' A' ' 101' ' ' HIS . 27.9 mt-10 -97.54 9.21 43.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.465 0.65 . . . . 0.0 111.54 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.809 ' O ' ' HB1' ' A' ' 100' ' ' ALA . 22.7 m-70 -120.83 105.6 10.87 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 175.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -58.67 -38.69 78.74 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -155.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.618 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -133.9 156.75 47.55 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.627 -175.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.88 HD22 ' HG ' ' A' ' 23' ' ' LEU . 68.5 mt -134.12 128.45 34.15 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.3 p -124.46 141.24 45.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 20.2 m-90 -99.0 110.09 22.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.092 0.472 . . . . 0.0 109.745 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.49 ' HB2' ' HB2' ' A' ' 113' ' ' GLU . 7.5 p -133.46 148.0 51.72 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.93 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.487 ' HB2' ' HD2' ' A' ' 111' ' ' PRO . 12.6 p -74.52 163.31 69.14 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -177.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.504 ' O ' HD11 ' A' ' 127' ' ' LEU . 3.1 Cg_endo -46.75 -43.37 23.59 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.973 2.449 . . . . 0.0 112.746 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.01 -40.61 82.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.174 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.49 ' HB2' ' HB2' ' A' ' 109' ' ' CYS . 30.4 mm-40 -70.69 -37.98 73.65 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.67 0.271 . . . . 0.0 110.877 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.87 85.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.9 -176.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.596 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -71.67 -15.98 62.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.593 -176.17 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -82.98 -11.32 58.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.005 0.431 . . . . 0.0 110.706 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -86.89 164.19 37.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.024 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.569 ' HB2' HD12 ' A' ' 36' ' ' LEU . 58.9 Cg_endo -72.53 73.26 2.86 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.349 2.033 . . . . 0.0 112.321 178.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 72.4 mt -81.4 152.84 27.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.284 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.52 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -65.71 150.2 96.51 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 174.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.69 -12.73 22.7 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.784 2.323 . . . . 0.0 113.302 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.403 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -87.24 -25.52 23.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.888 0.375 . . . . 0.0 110.311 176.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.52 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.4 m-20 -85.38 -24.1 27.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.027 -174.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.552 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 45.9 mm -60.8 -58.13 21.48 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.116 -176.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 12.1 Cg_endo -57.66 -26.16 71.37 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 122.478 2.118 . . . . 0.0 112.632 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.6 mt -73.79 -39.42 64.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.334 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.596 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.2 tm? -76.82 -38.11 54.49 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 38.0 mt-10 -51.29 -42.42 61.12 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 176.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.483 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -82.66 -19.76 37.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.566 -178.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.426 ' HA ' HG13 ' A' ' 72' ' ' VAL . 90.3 t80 -70.16 -48.65 56.43 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.263 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.3 ptm -69.31 -33.02 72.52 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.424 177.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -61.3 -44.66 96.85 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.835 0.35 . . . . 0.0 111.144 174.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 mp -66.18 -33.93 76.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.982 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -83.08 -23.68 33.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.488 -178.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.51 -35.86 14.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.879 0.371 . . . . 0.0 111.059 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.294 -177.767 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.723 0.297 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.3 mtp -101.7 127.42 48.46 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.276 0.56 . . . . 0.0 110.035 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.801 ' HB ' HG23 ' A' ' 84' ' ' ILE . 55.1 mt -108.63 116.26 51.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.09 -176.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -94.04 122.3 36.41 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.562 ' HB ' ' HG ' ' A' ' 86' ' ' LEU . 97.1 t -124.36 136.83 59.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.407 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 2.7 m -110.59 134.99 51.05 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-O 120.951 0.405 . . . . 0.0 110.156 176.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.63 133.43 55.86 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.521 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.5 118.39 36.76 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.052 0.453 . . . . 0.0 110.663 -177.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.427 HG23 ' CG2' ' A' ' 22' ' ' ILE . 4.6 mt -95.85 99.99 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.161 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 176.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.609 HD12 HD23 ' A' ' 23' ' ' LEU . 30.3 mt -88.47 102.04 12.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.092 -176.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 19.0 tt0 -106.66 111.8 24.5 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -176.22 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -119.75 113.66 20.96 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.303 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 61.65 31.52 18.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.751 -178.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.408 ' HA2' ' NH2' ' A' ' 134' ' ' ARG . . . 89.14 9.35 67.58 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.156 -1.021 . . . . 0.0 112.874 177.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 9.6 mttp -121.3 141.08 51.26 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.623 -0.34 . . . . 0.0 110.149 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.483 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 21.6 mt -102.98 147.88 8.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -176.217 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.609 HD23 HD12 ' A' ' 16' ' ' ILE . 40.7 tp -90.19 121.59 32.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.27 0.557 . . . . 0.0 111.062 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.521 ' HG ' ' HE1' ' A' ' 39' ' ' PHE . 7.2 mp -112.13 136.69 51.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.085 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.83 115.46 25.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.992 0.425 . . . . 0.0 110.521 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 37' ' ' TRP . 35.7 tt0 . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.018 -175.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 113.971 0.349 . . . . 0.0 113.971 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.535 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 5.8 mp -75.48 146.48 40.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.021 0.438 . . . . 0.0 111.476 -177.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 59.5 m95 -112.74 151.31 30.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.962 -178.078 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -140.17 150.21 43.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.105 173.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.521 ' HE1' ' HG ' ' A' ' 24' ' ' LEU . 10.1 m-30 -77.83 129.85 35.94 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 172.318 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.55 158.54 29.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.212 0.529 . . . . 0.0 111.868 -172.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.98 -141.84 7.26 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -177.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.25 174.82 38.05 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.701 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -78.88 151.85 31.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.9 0.381 . . . . 0.0 110.235 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.1 t -98.66 131.72 45.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.533 ' HG3' ' HD2' ' A' ' 46' ' ' PRO . 3.4 tp10 -93.64 143.14 26.09 Favored Pre-proline 0 C--N 1.316 -0.856 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 173.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.533 ' HD2' ' HG3' ' A' ' 45' ' ' GLU . 37.5 Cg_endo -66.18 14.67 0.11 Allowed 'Trans proline' 0 N--CA 1.478 0.605 0 C-N-CA 123.013 2.475 . . . . 0.0 113.513 -177.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' A' ' 45' ' ' GLU . 15.8 t70 -109.92 -15.76 14.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.357 0.598 . . . . 0.0 110.881 176.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 18.0 pt-20 -118.7 171.65 8.05 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.996 -174.07 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.9 t -90.26 156.89 17.97 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -65.73 -43.26 89.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.154 -175.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.452 ' HB3' ' HB ' ' A' ' 68' ' ' VAL . 42.9 mtm180 -72.34 -27.68 62.57 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.444 177.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -69.13 -38.2 78.72 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.37 -42.89 99.44 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.445 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.659 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 31.6 mt -62.69 -46.86 86.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.038 0.447 . . . . 0.0 110.815 176.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.1 t -58.96 -43.25 88.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.431 -177.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 57' ' ' GLU . 14.7 ptt85 -73.33 -44.8 58.2 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.958 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 4.9 mm-40 -61.26 -43.07 99.48 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -177.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 55.4 mt -68.21 -32.45 72.67 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.583 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -65.82 -35.46 80.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.233 0.539 . . . . 0.0 110.939 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -86.75 -34.15 19.72 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.119 -176.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.626 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 67.8 mm-40 -88.22 -52.01 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.586 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 49.9 mt -102.17 5.77 40.43 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -171.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 55.76 22.29 32.81 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 114.591 0.596 . . . . 0.0 114.591 -176.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.526 HG21 HD23 ' A' ' 98' ' ' LEU . 38.2 pt -122.93 142.12 40.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 117.91 0.855 . . . . 0.0 112.245 -177.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 29.4 mt-10 -89.68 103.3 15.96 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.623 174.281 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.86 153.35 18.3 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.073 0.463 . . . . 0.0 111.685 -174.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.601 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 30.3 m -114.73 104.39 11.92 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.03 174.217 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.579 ' HA ' HG12 ' A' ' 91' ' ' VAL . 12.0 t -85.14 126.81 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.439 -174.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -128.43 -84.96 0.45 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.096 -1.049 . . . . 0.0 113.715 -173.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.62 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 7.9 pt-20 -84.07 130.39 34.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.578 0.704 . . . . 0.0 112.061 -169.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -79.15 131.74 36.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.368 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.414 HG13 HD22 ' A' ' 133' ' ' LEU . 92.7 t -97.56 -70.45 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 120.677 0.275 . . . . 0.0 111.292 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -162.19 178.41 8.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.536 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.7 t -144.44 152.39 40.57 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -135.46 139.27 43.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.755 0.312 . . . . 0.0 110.603 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -101.16 140.36 35.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.387 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.528 ' HG3' HG13 ' A' ' 84' ' ' ILE . 5.5 ptm180 -158.41 175.48 13.65 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 174.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 6.9 pt-20 -118.73 150.41 39.82 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.062 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.674 ' HB ' HD11 ' A' ' 84' ' ' ILE . 3.2 p -120.51 94.43 3.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.432 -0.804 . . . . 0.0 108.847 170.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m 49.19 60.75 3.53 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.928 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.91 -12.28 67.94 Favored Glycine 0 CA--C 1.522 0.496 0 C-N-CA 120.653 -0.784 . . . . 0.0 114.296 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.497 ' HB2' HG13 ' A' ' 79' ' ' VAL . 83.9 mtt180 -102.95 134.28 46.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.69 0.745 . . . . 0.0 110.312 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mp -93.37 110.41 23.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.079 0.466 . . . . 0.0 110.815 -174.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.801 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -94.22 141.55 14.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.462 0.649 . . . . 0.0 111.712 -179.673 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -123.72 98.59 5.89 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.178 176.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.562 ' HG ' ' HB ' ' A' ' 11' ' ' VAL . 6.7 mp -90.09 127.67 36.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.043 -175.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -108.11 116.22 31.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.989 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.08 113.58 25.57 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.968 0.413 . . . . 0.0 110.342 177.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.75 138.66 49.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.784 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.62 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 6.6 t60 -88.4 115.76 26.14 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.579 HG12 ' HA ' ' A' ' 68' ' ' VAL . 16.2 m -94.16 108.5 36.18 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 121.082 0.467 . . . . 0.0 110.24 176.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.601 ' HD2' ' O ' ' A' ' 67' ' ' THR . 72.2 Cg_endo -77.65 -13.33 16.37 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.733 2.289 . . . . 0.0 112.681 -178.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.598 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 10.1 t70 -139.79 140.16 36.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.152 0.501 . . . . 0.0 111.058 -176.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.401 ' HB2' HD12 ' A' ' 64' ' ' ILE . 31.1 p90 -150.1 134.63 17.42 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.28 176.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.42 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 43.1 t-80 -114.49 119.35 36.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.274 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.62 -169.11 23.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.435 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 26.6 m -116.98 124.07 48.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.962 0.41 . . . . 0.0 110.419 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.526 HD23 HG21 ' A' ' 64' ' ' ILE . 4.0 mt -57.19 123.98 17.19 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.452 -177.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.586 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.9 pt20 -140.79 156.21 46.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.347 177.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.488 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -107.06 101.46 10.88 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.099 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -77.92 -72.36 0.37 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.125 0.488 . . . . 0.0 110.582 173.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.626 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 1.8 mm-40 -85.29 11.14 10.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.294 0.569 . . . . 0.0 111.283 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -129.78 172.67 11.41 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.087 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -99.88 -75.78 0.56 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.864 0.364 . . . . 0.0 111.191 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.2 158.22 23.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.62 -177.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.488 HD13 ' HB2' ' A' ' 100' ' ' ALA . 9.1 mp -123.7 137.76 54.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.085 178.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.9 p -135.0 147.28 29.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.079 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.429 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 36.0 p90 -113.51 116.56 29.76 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.429 175.148 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 26.2 p -139.73 156.98 46.49 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.487 -176.199 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.518 ' OG ' ' HD2' ' A' ' 111' ' ' PRO . 8.5 t -67.51 150.68 97.73 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -177.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.566 ' O ' HD11 ' A' ' 127' ' ' LEU . 1.3 Cg_endo -46.67 -48.87 13.08 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.664 2.909 . . . . 0.0 114.208 -175.013 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.77 -30.39 67.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.738 0.304 . . . . 0.0 110.278 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.45 ' HA ' ' NE2' ' A' ' 116' ' ' GLN . 16.9 mm-40 -67.25 -39.67 86.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.021 176.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.56 88.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.583 -179.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.575 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -71.99 -12.11 61.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.046 0.451 . . . . 0.0 110.68 -176.192 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.45 ' NE2' ' HA ' ' A' ' 113' ' ' GLU . 57.0 mt-30 -82.76 -14.96 53.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.347 175.523 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.446 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 40.1 m-85 -89.28 165.21 27.21 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.503 -177.297 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.535 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 43.5 Cg_endo -72.2 85.92 1.0 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 122.144 1.896 . . . . 0.0 111.554 177.503 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 72.0 mt -96.58 153.68 17.71 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.492 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 124' ' ' ILE . . . -64.37 151.66 90.62 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.909 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.09 -17.52 38.76 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.123 2.549 . . . . 0.0 113.205 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.515 ' HB2' ' HD2' ' A' ' 77' ' ' ARG . . . -95.67 -19.34 19.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.68 0.276 . . . . 0.0 110.796 177.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -84.5 -30.88 24.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.868 -175.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.537 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 76.8 mt -63.29 -57.36 20.83 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.613 -176.133 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 12.3 Cg_endo -55.83 -30.86 78.64 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.56 2.174 . . . . 0.0 112.629 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 99.3 mt -72.25 -41.52 66.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.108 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.575 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.1 tm? -71.42 -39.4 71.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.154 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 27.2 mt-10 -53.98 -40.99 67.4 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-O 120.65 0.262 . . . . 0.0 111.013 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.23 -23.64 40.73 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.661 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.613 ' CE2' ' HD2' ' A' ' 134' ' ' ARG . 85.0 t80 -70.84 -46.44 62.71 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.146 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.4 ptm -65.52 -33.48 76.02 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.589 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.55 92.81 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.738 0.304 . . . . 0.0 111.091 173.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.414 HD22 HG13 ' A' ' 72' ' ' VAL . 3.3 mp -66.26 -40.47 90.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.43 -176.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.613 ' HD2' ' CE2' ' A' ' 130' ' ' PHE . 18.4 mtp-105 -75.22 -25.69 58.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.545 0.212 . . . . 0.0 111.341 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -87.22 -36.17 18.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.754 0.311 . . . . 0.0 111.266 -176.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.903 -178.877 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? . . . . . 0 CA--C 1.516 -0.337 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.2 mtp -104.5 126.41 51.57 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.646 0.736 . . . . 0.0 111.693 -175.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.555 ' HB ' HG23 ' A' ' 84' ' ' ILE . 26.1 mt -107.29 120.74 59.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.819 178.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -100.01 123.92 44.79 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -177.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 96.6 t -125.82 125.12 67.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.351 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.4 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 6.1 m -101.5 133.38 45.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.271 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.52 129.76 56.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.003 -179.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.601 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -103.05 113.88 27.71 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.053 0.454 . . . . 0.0 110.359 -177.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.535 HG23 HG23 ' A' ' 22' ' ' ILE . 5.7 mt -91.5 101.13 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.098 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.7 HG13 HD23 ' A' ' 23' ' ' LEU . 1.3 mm -85.83 102.02 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -179.07 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.607 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . 4.5 tm-20 -123.27 122.16 37.66 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.456 -175.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.988 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -151.69 146.57 25.88 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.175 -0.92 . . . . 0.0 108.969 175.548 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 73.72 0.98 3.8 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.787 0.679 . . . . 0.0 110.525 -176.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.19 6.11 55.76 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -176.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.56 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 24.8 mttt -121.17 147.15 45.98 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -175.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.555 HG21 ' HE1' ' A' ' 39' ' ' PHE . 8.8 mt -104.8 147.76 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.628 -177.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.862 HD11 ' HG ' ' A' ' 106' ' ' LEU . 40.2 tp -86.72 123.29 31.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.572 -178.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.617 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 58.5 mt -117.09 154.9 30.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.05 173.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.512 ' HA ' ' O ' ' A' ' 105' ' ' ALA . . . -131.01 123.2 28.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.994 0.426 . . . . 0.0 111.567 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.535 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.439 0 N-CA-C 112.793 -0.123 . . . . 0.0 112.793 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.597 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 6.3 mp -77.8 151.38 34.01 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.804 0.335 . . . . 0.0 111.38 -178.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.617 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 13.2 m95 -122.22 159.2 27.78 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 177.729 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.441 ' OE2' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -152.44 -178.08 6.61 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 178.543 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.555 ' HE1' HG21 ' A' ' 22' ' ' ILE . 98.8 m-85 -90.99 127.85 36.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 175.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.33 155.98 30.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 155.41 -130.52 2.82 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -177.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.02 178.6 32.21 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.54 177.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -79.87 151.8 29.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.39 -0.405 . . . . 0.0 110.113 178.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.0 t -99.14 128.39 50.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -177.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.555 ' HG3' ' HD2' ' A' ' 46' ' ' PRO . 4.0 tp10 -100.45 145.17 29.84 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 175.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.555 ' HD2' ' HG3' ' A' ' 45' ' ' GLU . 9.4 Cg_endo -52.8 -20.36 12.76 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.045 2.496 . . . . 0.0 113.173 -178.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -72.58 -20.61 61.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.774 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.406 ' OE1' ' HA ' ' A' ' 53' ' ' ALA . 12.5 pt-20 -126.98 152.11 47.64 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.113 0.483 . . . . 0.0 110.944 -174.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.4 t -83.82 169.25 15.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.652 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.437 ' HB3' ' HH2' ' A' ' 89' ' ' TRP . 96.0 mt-30 -59.05 -51.81 68.46 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -175.158 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.463 ' O ' HG23 ' A' ' 55' ' ' VAL . 59.5 mtt180 -72.98 -30.9 64.17 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -64.64 -38.95 92.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.749 -179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' HA ' ' OE1' ' A' ' 48' ' ' GLU . . . -58.49 -51.83 68.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.484 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.722 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 22.7 mt -59.87 -47.44 85.74 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 120.709 0.29 . . . . 0.0 111.144 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 51' ' ' ARG . 86.4 t -59.03 -46.43 91.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.883 -177.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.571 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 5.3 ppt_? -74.31 -39.69 62.72 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.211 -177.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.407 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 5.1 mm-40 -60.95 -46.59 90.08 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.596 0.236 . . . . 0.0 111.25 177.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.722 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 32.6 mt -66.51 -32.97 74.67 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.08 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -60.62 -34.58 74.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.162 174.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 28.4 mt-10 -87.08 -37.05 17.77 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -178.014 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.587 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 2.1 mt-10 -89.35 -52.55 4.98 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.752 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.674 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 43.2 mt -97.64 4.14 50.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -171.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 45.21 37.48 5.97 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 114.635 0.614 . . . . 0.0 114.635 -175.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.461 HG12 ' HB2' ' A' ' 62' ' ' LEU . 36.0 pt -129.87 144.38 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 117.839 0.819 . . . . 0.0 111.792 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.475 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 7.6 mm-40 -89.35 93.4 9.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.848 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.93 157.11 22.04 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.478 -174.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.575 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 38.1 m -119.46 103.93 9.89 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.219 176.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.4 t -76.06 117.22 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.635 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.509 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . -162.76 62.73 0.26 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 119.847 -1.168 . . . . 0.0 113.973 -172.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.509 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 11.9 pt-20 158.46 148.03 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.208 1.003 . . . . 0.0 109.546 173.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.624 ' HA ' ' HD1' ' A' ' 89' ' ' TRP . 0.2 OUTLIER -104.26 127.51 51.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.268 -173.758 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.432 ' HB ' ' O ' ' A' ' 88' ' ' ALA . 85.5 t -97.81 -70.02 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.952 172.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -163.95 165.25 22.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 111.722 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 72.3 m -131.21 145.08 51.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.181 174.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -131.6 140.82 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.329 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -110.0 146.77 34.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.223 0.535 . . . . 0.0 111.283 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.483 ' HG3' HG13 ' A' ' 84' ' ' ILE . 15.2 ptt180 -158.55 174.19 15.46 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 172.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 6.7 pt-20 -118.8 151.52 37.9 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 119.245 -0.982 . . . . 0.0 111.716 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.593 ' HB ' HD11 ' A' ' 84' ' ' ILE . 3.8 p -126.33 94.92 2.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.678 172.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.2 m 53.06 66.88 1.1 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.784 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.19 17.25 71.89 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 116.089 -0.505 . . . . 0.0 113.916 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 78' ' ' GLU . 91.3 mtt180 -127.97 131.24 49.28 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mp -94.13 114.84 31.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.066 0.46 . . . . 0.0 110.389 -173.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.593 HD11 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -89.09 131.24 36.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.382 178.123 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -116.57 96.86 5.7 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.943 -176.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.593 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.2 mp -88.93 128.82 35.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 -176.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -109.24 112.98 25.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.668 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.432 ' O ' ' HB ' ' A' ' 72' ' ' VAL . . . -93.75 107.04 18.97 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.023 0.44 . . . . 0.0 110.372 177.228 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.624 ' HD1' ' HA ' ' A' ' 71' ' ' TYR . 7.6 m0 -111.05 150.4 29.39 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.41 177.428 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.607 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 39.6 t-80 -95.65 130.85 42.4 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.673 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.5 t -91.22 104.32 9.45 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.015 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.575 ' HD2' ' O ' ' A' ' 67' ' ' THR . 61.3 Cg_endo -75.45 -27.48 9.28 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.806 2.338 . . . . 0.0 112.627 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -153.18 141.93 21.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.683 -176.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -146.07 142.59 28.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.85 0.357 . . . . 0.0 110.587 178.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 76.7 t60 -103.84 121.83 43.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 126.07 -166.25 18.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.861 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 26.0 m -117.95 120.09 36.78 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.889 HD23 ' H ' ' A' ' 98' ' ' LEU . 1.3 pt? -72.5 119.2 16.38 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.962 -174.277 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.674 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.0 pt20 -123.3 169.15 11.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.576 -176.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.533 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -113.94 104.53 12.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.816 0.341 . . . . 0.0 110.41 177.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -89.98 -69.09 0.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.222 -178.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.587 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 60.9 mm-40 -77.19 -36.99 54.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.218 0.532 . . . . 0.0 109.878 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -86.96 156.86 19.62 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 174.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -95.83 -47.8 6.0 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -168.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.512 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -115.67 147.71 40.54 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.674 -178.228 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.862 ' HG ' HD11 ' A' ' 23' ' ' LEU . 2.5 tp -131.73 122.06 25.26 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -178.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.4 p -131.54 148.91 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.821 0.343 . . . . 0.0 111.591 -172.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.504 ' CZ2' HD11 ' A' ' 98' ' ' LEU . 10.8 m-90 -105.59 115.13 29.73 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 172.437 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.7 p -125.26 150.63 46.89 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.302 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.493 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 24.5 m -66.71 157.38 83.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.41 ' O ' HD11 ' A' ' 127' ' ' LEU . 2.5 Cg_endo -46.69 -52.67 7.18 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.969 2.446 . . . . 0.0 112.992 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.07 -28.5 68.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.75 0.31 . . . . 0.0 111.188 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.493 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 16.4 mm-40 -67.13 -41.33 86.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.317 178.421 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.04 -41.63 83.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.195 -174.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.598 HD23 HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -73.15 -11.85 60.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.645 0.259 . . . . 0.0 111.329 -177.48 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -87.67 -8.26 56.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.206 0.527 . . . . 0.0 110.382 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.412 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 7.9 m-85 -88.68 154.69 50.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.612 178.014 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.597 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 37.0 Cg_endo -66.86 79.86 0.36 Allowed 'Trans proline' 0 CA--C 1.529 0.249 0 C-N-CA 122.365 2.043 . . . . 0.0 112.15 177.397 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 123' ' ' ASP . 84.3 mt -89.38 153.73 20.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.273 178.122 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.568 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -72.65 160.06 83.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.577 177.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.527 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 18.9 Cg_endo -59.9 -13.03 20.76 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.227 2.618 . . . . 0.0 113.46 -177.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.502 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -93.01 -30.14 15.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.752 0.311 . . . . 0.0 110.659 178.307 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.568 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 3.8 m-20 -79.48 -29.24 41.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.874 -175.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.459 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 82.6 mt -60.01 -59.97 12.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.962 -176.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.459 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 15.9 Cg_endo -57.98 -26.57 75.47 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.428 2.085 . . . . 0.0 112.839 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.9 mt -75.23 -42.61 55.0 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.833 0.349 . . . . 0.0 110.317 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.598 HD12 HD23 ' A' ' 115' ' ' LEU . 2.8 tm? -73.58 -37.59 65.44 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -51.67 -42.15 61.91 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.739 0.304 . . . . 0.0 110.483 176.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.449 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -82.69 -21.66 34.79 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.447 ' HB3' HD22 ' A' ' 127' ' ' LEU . 85.9 t80 -70.52 -45.94 64.59 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 178.328 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.2 ptm -69.4 -33.12 72.54 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.57 175.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -60.56 -44.33 96.27 Favored 'General case' 0 C--N 1.338 0.085 0 CA-C-O 120.869 0.366 . . . . 0.0 111.384 174.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.51 -32.84 73.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.389 -176.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 134' ' ' ARG . 29.3 mtp180 -93.71 -17.4 23.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.496 -176.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.48 -39.02 12.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.055 0.455 . . . . 0.0 110.429 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.322 179.486 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.1 mtt -99.75 130.83 46.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.55 0.691 . . . . 0.0 111.333 -177.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.587 ' HB ' HG23 ' A' ' 84' ' ' ILE . 23.3 mt -106.45 109.93 29.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 114.724 -1.125 . . . . 0.0 108.251 176.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -96.27 125.17 40.6 Favored 'General case' 0 C--N 1.305 -1.345 0 C-N-CA 120.394 -0.523 . . . . 0.0 109.75 -175.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.62 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 89.8 t -125.29 128.62 72.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -178.286 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.414 HG12 ' HB2' ' A' ' 87' ' ' HIS . 2.5 m -100.0 133.25 43.6 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.48 133.19 55.35 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.604 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.67 115.85 31.4 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.128 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.447 HG23 ' CG2' ' A' ' 22' ' ' ILE . 4.8 mt -93.68 98.89 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 174.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.563 HD12 HD23 ' A' ' 23' ' ' LEU . 46.9 mt -91.5 104.12 15.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -176.14 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.566 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 43.5 tt0 -109.27 112.2 24.21 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.003 -174.056 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.432 ' NH1' ' HA ' ' A' ' 93' ' ' ASP . 6.7 tpt180 -123.64 121.97 36.94 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.417 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 68.68 14.33 8.99 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.828 0.705 . . . . 0.0 111.275 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.93 2.89 58.2 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.395 -0.907 . . . . 0.0 112.326 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 9.4 mttp -113.34 150.06 33.12 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.05 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.536 ' O ' ' HA ' ' A' ' 108' ' ' TRP . 17.3 mt -104.18 148.48 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -177.27 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.563 HD23 HD12 ' A' ' 16' ' ' ILE . 42.9 tp -89.1 119.61 29.76 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.145 0.498 . . . . 0.0 111.365 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.668 HD22 ' HE3' ' A' ' 37' ' ' TRP . 7.0 mp -115.24 147.62 40.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.119 177.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.41 116.77 26.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.931 0.396 . . . . 0.0 111.312 -178.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.238 0.448 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.198 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.684 0 N-CA-C 112.669 -0.173 . . . . 0.0 112.669 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.469 ' HA ' ' HG2' ' A' ' 118' ' ' PRO . 11.4 mt -75.6 145.85 40.83 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.86 0.362 . . . . 0.0 111.138 178.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.668 ' HE3' HD22 ' A' ' 24' ' ' LEU . 27.7 m0 -108.59 147.75 31.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.815 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -146.91 159.89 42.99 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -79.72 153.54 29.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.798 0.332 . . . . 0.0 110.421 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.46 160.8 23.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.756 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.13 -139.61 7.04 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -178.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.88 177.04 37.77 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.317 -0.944 . . . . 0.0 112.884 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -77.9 152.12 33.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.014 0.435 . . . . 0.0 110.562 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -98.7 120.43 48.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -86.08 157.68 56.56 Favored Pre-proline 0 C--N 1.319 -0.737 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -74.5 3.32 5.44 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.416 2.077 . . . . 0.0 112.127 -174.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -101.73 -7.77 22.32 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.06 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -131.74 170.02 15.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.498 0.666 . . . . 0.0 112.362 -170.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.0 m -96.81 162.03 13.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.142 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -57.0 -55.22 37.5 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.817 0.341 . . . . 0.0 111.142 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.448 ' O ' HG23 ' A' ' 55' ' ' VAL . 49.7 mtt180 -65.55 -31.68 72.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.143 0.497 . . . . 0.0 110.171 -179.186 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -70.08 -39.95 75.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.313 -176.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.67 96.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.649 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.604 HD22 ' HB2' ' A' ' 14' ' ' ALA . 38.7 mt -62.72 -46.67 87.03 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 111.141 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 51' ' ' ARG . 53.1 t -59.51 -42.28 87.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.344 -177.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.585 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 11.9 ptt85 -76.39 -42.86 42.99 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.286 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.498 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 5.6 mm-40 -58.48 -49.88 75.76 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.7 0.286 . . . . 0.0 111.08 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.596 ' HG ' HD12 ' A' ' 62' ' ' LEU . 9.9 mp -62.33 -32.71 73.51 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.296 176.36 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -63.86 -37.79 88.68 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.73 174.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 29.2 mt-10 -80.3 -45.47 17.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.971 -178.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.59 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 67.1 mm-40 -84.64 -51.75 6.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.524 -176.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.742 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 63.9 mt -100.17 7.28 44.64 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.709 -172.133 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 45.46 34.6 4.96 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 115.007 0.763 . . . . 0.0 115.007 -175.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.516 HG23 ' O ' ' A' ' 62' ' ' LEU . 47.8 pt -124.91 146.48 30.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 117.859 0.83 . . . . 0.0 112.014 -178.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 31.8 mt-10 -90.09 93.39 9.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.497 -0.774 . . . . 0.0 108.969 172.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.67 149.12 28.67 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.151 0.5 . . . . 0.0 111.612 -176.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.702 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 40.5 m -112.51 104.11 12.21 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.046 175.478 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.447 ' HB ' ' HB3' ' A' ' 51' ' ' ARG . 49.5 t -88.15 122.26 39.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.863 -176.01 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.479 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . -167.52 76.71 0.12 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 119.755 -1.212 . . . . 0.0 114.152 -175.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.656 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 12.2 pt-20 146.95 119.39 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.559 1.544 . . . . 0.0 109.324 172.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.43 131.5 35.6 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.1 -176.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.5 t -97.07 -69.95 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.338 176.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.69 171.47 20.26 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.85 0.357 . . . . 0.0 111.321 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.7 p -136.67 147.32 46.76 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 176.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -139.52 147.21 40.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.859 0.361 . . . . 0.0 110.51 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.412 ' HG3' ' HD2' ' A' ' 85' ' ' HIS . 35.3 mt-30 -112.56 141.69 46.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.226 176.148 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.609 ' HD3' ' HB2' ' A' ' 122' ' ' ALA . 18.4 ptt180 -148.16 170.61 17.46 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 173.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -119.91 149.42 42.12 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 119.374 -0.931 . . . . 0.0 111.626 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.658 ' HB ' HD11 ' A' ' 84' ' ' ILE . 3.2 p -126.22 96.22 3.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.502 173.201 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 m 51.12 65.47 1.47 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.67 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.84 14.34 70.24 Favored Glycine 0 CA--C 1.521 0.427 0 CA-C-N 116.249 -0.432 . . . . 0.0 113.989 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.509 ' HB2' HG13 ' A' ' 79' ' ' VAL . 85.7 mtt180 -119.09 133.01 56.05 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 175.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.401 HD12 ' N ' ' A' ' 83' ' ' ILE . 1.9 mp -95.06 109.99 23.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.159 0.504 . . . . 0.0 110.575 -173.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.658 HD11 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -86.49 129.8 37.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.163 179.769 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.412 ' HD2' ' HG3' ' A' ' 76' ' ' GLN . 9.6 t-160 -119.16 97.98 5.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.808 -175.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.62 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.2 mp -87.31 132.41 33.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.592 -175.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.414 ' HB2' HG12 ' A' ' 12' ' ' VAL . 48.6 m-70 -113.53 112.72 24.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.73 176.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.5 ' HB2' ' CD2' ' A' ' 126' ' ' LEU . . . -90.14 110.47 21.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.129 0.49 . . . . 0.0 110.895 179.271 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.427 ' HB3' HG13 ' A' ' 68' ' ' VAL . 82.8 m95 -108.09 136.72 47.3 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.626 176.036 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.656 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 45.9 t-80 -84.9 125.66 32.83 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.47 ' HB ' ' HA ' ' A' ' 16' ' ' ILE . 61.8 t -91.43 101.69 4.65 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.634 175.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.702 ' HD2' ' O ' ' A' ' 67' ' ' THR . 55.5 Cg_endo -71.68 -22.62 23.85 Favored 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 122.816 2.344 . . . . 0.0 112.436 -179.328 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 38.7 t70 -158.05 148.68 20.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.983 0.421 . . . . 0.0 111.505 -178.077 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -143.72 145.45 32.43 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 37.3 t-80 -109.81 120.31 42.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.684 0.278 . . . . 0.0 110.559 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 130.48 -165.64 22.63 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.202 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 89.7 m -122.17 129.32 52.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.015 0.436 . . . . 0.0 110.697 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.511 ' HB3' HD23 ' A' ' 106' ' ' LEU . 18.6 mt -59.54 129.34 41.5 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.946 -1.024 . . . . 0.0 112.007 -176.18 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.742 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 9.7 pt20 -140.27 155.78 46.73 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.342 175.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.58 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -111.47 124.14 51.66 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.638 0.256 . . . . 0.0 111.488 177.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -98.0 -66.55 0.89 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.065 0.459 . . . . 0.0 110.292 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.59 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 12.4 mm-40 -76.89 -29.66 55.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.052 177.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -96.96 163.82 12.79 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.672 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -94.78 -64.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.985 0.421 . . . . 0.0 111.023 -175.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.32 149.04 28.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.792 -175.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.58 HD13 ' HB2' ' A' ' 100' ' ' ALA . 1.4 tp -123.64 125.15 44.3 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.4 p -137.76 128.72 38.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.389 0.614 . . . . 0.0 111.457 -173.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.536 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 23.1 p90 -94.78 125.38 39.4 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.317 172.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.558 ' SG ' HD13 ' A' ' 24' ' ' LEU . 26.0 p -144.11 157.97 44.0 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.692 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.491 ' HB2' ' HG3' ' A' ' 113' ' ' GLU . 5.6 m -71.38 155.12 93.19 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -175.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.536 ' O ' HD11 ' A' ' 127' ' ' LEU . 48.7 Cg_exo -47.25 -49.74 12.38 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.06 2.506 . . . . 0.0 113.079 -178.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 1.6 pm0 -65.87 -36.31 83.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.959 -177.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.491 ' HG3' ' HB2' ' A' ' 110' ' ' SER . 28.7 mt-10 -67.14 -38.65 85.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.979 0.418 . . . . 0.0 110.153 177.37 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.25 90.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.726 -176.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.622 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -71.36 -16.07 62.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.711 0.291 . . . . 0.0 111.232 -175.501 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 112' ' ' GLU . 52.4 mt-30 -79.92 -8.13 59.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.022 0.439 . . . . 0.0 110.879 177.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.524 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 32.2 m-85 -100.81 165.71 13.78 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.765 -178.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.524 ' HD2' ' HB3' ' A' ' 117' ' ' TYR . 55.8 Cg_endo -70.29 76.82 1.32 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.524 2.149 . . . . 0.0 112.705 -178.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.434 HD21 HD23 ' A' ' 24' ' ' LEU . 41.9 mt -86.48 152.76 22.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.2 176.095 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.516 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -68.12 155.2 92.64 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.659 178.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.432 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 17.7 Cg_endo -59.37 -13.96 22.77 Favored 'Trans proline' 0 CA--C 1.534 0.502 0 C-N-CA 123.197 2.598 . . . . 0.0 114.214 -174.339 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.609 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -98.18 -25.52 14.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.017 -0.427 . . . . 0.0 111.068 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.516 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 2.0 m-20 -78.27 -26.25 47.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.854 -178.7 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.468 HG23 HD11 ' A' ' 115' ' ' LEU . 80.3 mt -62.94 -59.03 13.6 Favored Pre-proline 0 CA--C 1.537 0.468 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.33 -179.019 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.46 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 10.4 Cg_endo -55.49 -32.12 81.14 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.85 2.367 . . . . 0.0 112.904 179.145 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.5 ' CD2' ' HB2' ' A' ' 88' ' ' ALA . 5.0 mp -73.73 -45.31 52.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.991 0.424 . . . . 0.0 110.506 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.622 ' HB3' HD23 ' A' ' 115' ' ' LEU . 2.9 tm? -69.83 -38.45 76.53 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.808 178.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -49.99 -44.79 51.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.345 176.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.468 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -80.91 -20.68 41.59 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.574 -179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -74.1 -47.36 36.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.8 ptm -68.16 -32.64 73.05 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.618 174.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.468 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -59.22 -40.13 84.86 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.124 0.488 . . . . 0.0 110.766 172.124 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 mp -67.65 -35.28 78.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.543 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -81.26 -17.89 47.88 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -86.41 -35.39 19.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.129 0.49 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.334 178.499 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt . . . . . 0 N--CA 1.451 -0.396 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.8 mtp -94.45 127.87 40.64 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.41 0.624 . . . . 0.0 110.755 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.642 ' HB ' HG23 ' A' ' 84' ' ' ILE . 40.4 mt -108.42 104.81 17.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.261 178.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -97.59 118.71 34.71 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -174.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.588 ' HB ' ' HG ' ' A' ' 86' ' ' LEU . 93.9 t -118.03 141.23 38.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.649 -174.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.06 132.05 62.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.059 0.457 . . . . 0.0 110.713 177.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.62 126.66 55.6 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.299 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.625 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.82 109.57 21.19 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.136 0.493 . . . . 0.0 109.981 -178.282 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.489 HG23 HG23 ' A' ' 22' ' ' ILE . 7.6 mt -92.52 105.02 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.062 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.133 178.242 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.733 HG13 HD23 ' A' ' 23' ' ' LEU . 2.7 mm -82.3 102.13 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.612 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . 3.2 tm-20 -116.85 117.1 28.8 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.171 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.417 ' HG3' ' OD2' ' A' ' 19' ' ' ASP . 25.3 tpt180 -136.61 127.69 27.84 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.306 -177.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.417 ' OD2' ' HG3' ' A' ' 18' ' ' ARG . 41.7 m-20 66.9 17.59 10.54 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.491 0.494 . . . . 0.0 111.208 178.559 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.24 4.82 66.16 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.996 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 12.5 mmtp -115.71 141.05 48.6 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -178.73 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.489 HG23 HG23 ' A' ' 15' ' ' ILE . 49.0 mt -103.63 144.65 13.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.932 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.733 HD23 HG13 ' A' ' 16' ' ' ILE . 50.7 tp -83.4 109.69 17.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.654 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.49 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 7.3 mp -98.71 127.81 44.76 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 175.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.08 112.9 20.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.675 0.274 . . . . 0.0 110.541 -177.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.512 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 48.3 tt0 . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.895 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.315 -0.314 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.512 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 26.4 mt -77.92 154.08 31.98 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 122.566 0.346 . . . . 0.0 110.666 177.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.615 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 73.0 m95 -113.52 140.91 47.74 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 175.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 37.8 mp0 -141.82 166.17 25.46 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -177.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.467 ' HE1' HG21 ' A' ' 22' ' ' ILE . 60.6 m-85 -82.89 159.86 22.26 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.36 175.91 7.14 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.35 -135.41 6.83 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.6 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.538 ' O ' HG13 ' A' ' 11' ' ' VAL . . . 170.29 -145.23 8.96 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.196 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -124.84 152.59 43.76 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -175.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.9 t -95.59 113.82 30.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.0 -175.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.488 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 34.7 mm-40 -82.29 141.15 45.82 Favored Pre-proline 0 N--CA 1.442 -0.847 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 175.081 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -50.74 -37.07 53.45 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.804 2.336 . . . . 0.0 112.537 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -78.57 -2.48 39.06 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -176.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.488 ' HG2' ' HB2' ' A' ' 45' ' ' GLU . 12.6 pt-20 -129.5 173.99 10.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.121 0.486 . . . . 0.0 111.471 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 t -105.44 164.28 11.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.921 -175.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -60.11 -55.12 37.77 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.338 -178.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.495 ' O ' HG23 ' A' ' 55' ' ' VAL . 58.4 mtt180 -61.63 -32.8 72.96 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-O 120.877 0.37 . . . . 0.0 110.171 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -70.74 -46.14 63.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.275 -177.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.492 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -59.24 -46.31 88.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.747 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.725 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 27.2 mt -61.19 -45.23 95.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.206 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 51' ' ' ARG . 46.8 t -61.72 -45.45 98.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.026 -177.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -71.28 -39.65 71.38 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.078 -176.528 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.6 -46.65 81.77 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.725 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 26.5 mt -66.08 -33.99 77.04 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.57 -178.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -56.88 -34.22 67.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.95 0.405 . . . . 0.0 110.718 174.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -89.66 -43.03 11.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.933 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.591 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 69.7 mm-40 -89.71 -38.36 13.91 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -173.028 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.461 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 57.3 mt -101.54 -19.82 15.33 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.633 -175.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.54 15.29 71.43 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.075 -1.059 . . . . 0.0 111.917 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.462 HD12 ' CB ' ' A' ' 94' ' ' PHE . 45.4 pt -123.21 144.14 33.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.856 0.36 . . . . 0.0 111.177 -177.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -86.56 99.72 11.89 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 171.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.415 ' CB ' HD12 ' A' ' 58' ' ' LEU . . . -84.97 148.14 26.36 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.308 0.575 . . . . 0.0 111.971 -172.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.661 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 40.7 m -111.75 106.17 14.87 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.013 174.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.5 t -92.71 124.43 45.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -177.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.446 ' HA2' ' NH1' ' A' ' 51' ' ' ARG . . . -171.41 68.24 0.13 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 119.852 -1.166 . . . . 0.0 113.969 -176.354 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.536 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 10.6 pt-20 157.65 104.31 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.82 1.248 . . . . 0.0 109.278 177.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.516 ' OH ' ' HB3' ' A' ' 74' ' ' SER . 9.4 t80 -79.94 129.55 34.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.976 -176.05 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.565 HG11 ' HD1' ' A' ' 130' ' ' PHE . 75.7 t -100.05 -69.76 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -177.359 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.564 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . . . -137.21 -177.89 4.97 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -172.368 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.516 ' HB3' ' OH ' ' A' ' 71' ' ' TYR . 24.8 p -162.97 136.74 6.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.078 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -135.53 130.35 34.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.822 0.344 . . . . 0.0 110.196 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -108.33 136.16 48.43 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.159 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.621 ' HG3' HG13 ' A' ' 84' ' ' ILE . 9.3 ptm180 -153.66 176.71 11.78 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 178.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -117.04 151.95 35.68 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.765 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.633 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.7 p -127.22 95.06 2.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 171.191 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.2 t 50.81 63.71 2.12 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.053 -177.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.66 -19.68 18.8 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 121.148 -0.549 . . . . 0.0 114.395 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -97.27 133.49 41.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.514 0.657 . . . . 0.0 110.834 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.9 mp -90.45 115.18 29.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.776 0.322 . . . . 0.0 110.845 -173.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.642 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -92.06 135.0 28.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.187 0.517 . . . . 0.0 110.465 176.459 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -125.62 98.73 5.69 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.734 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.588 ' HG ' ' HB ' ' A' ' 11' ' ' VAL . 6.3 mp -88.04 133.48 33.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.566 -176.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.497 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . 39.9 m80 -112.25 113.98 26.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.721 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.99 109.69 20.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.762 0.315 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -107.7 147.23 31.02 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.622 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.612 ' NE2' ' HB3' ' A' ' 17' ' ' GLU . 9.7 t-160 -102.4 127.81 49.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 173.088 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.454 HG21 HD13 ' A' ' 16' ' ' ILE . 12.4 m -92.71 104.37 11.28 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-O 121.222 0.534 . . . . 0.0 110.225 174.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.661 ' HD2' ' O ' ' A' ' 67' ' ' THR . 59.0 Cg_endo -72.18 -8.89 23.63 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 123.09 2.527 . . . . 0.0 112.733 -179.069 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.415 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 20.5 t70 -157.62 145.24 18.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.902 0.382 . . . . 0.0 110.997 -178.622 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.462 ' CB ' HD12 ' A' ' 64' ' ' ILE . 38.6 p90 -151.11 144.94 25.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.233 174.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -111.69 124.16 51.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.547 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.32 -160.01 18.92 Favored Glycine 0 N--CA 1.453 -0.198 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.5 m -122.42 125.73 46.47 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.46 122.07 23.27 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.697 0.761 . . . . 0.0 110.727 -175.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 29.8 pt20 -140.86 166.84 23.68 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.869 -176.335 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -101.92 110.49 22.48 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.262 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.591 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 34.2 t-80 -83.92 -65.25 1.03 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.442 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -84.33 -36.4 22.58 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.487 178.773 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -75.12 175.04 8.6 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.427 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -95.52 -73.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.549 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -120.24 163.02 18.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.472 0.177 . . . . 0.0 111.194 -176.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.472 ' HB3' HD11 ' A' ' 23' ' ' LEU . 2.3 mm? -122.16 137.97 54.64 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.9 p -134.99 130.58 52.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.084 0.469 . . . . 0.0 110.249 172.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.457 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 15.8 p90 -99.43 121.06 40.6 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.465 0.65 . . . . 0.0 110.557 177.045 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 39.3 m -145.33 156.88 44.06 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.551 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.408 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 22.9 m -66.51 155.84 87.56 Favored Pre-proline 0 C--N 1.315 -0.893 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -177.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.583 ' O ' HD11 ' A' ' 127' ' ' LEU . 5.8 Cg_endo -49.92 -42.26 45.35 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.006 2.471 . . . . 0.0 112.903 -178.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -66.96 -33.09 74.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.798 0.332 . . . . 0.0 111.064 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.408 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 7.0 mm-40 -72.77 -40.76 65.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.703 176.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.82 -38.67 75.99 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.365 -173.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.649 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -71.66 -12.93 61.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.877 0.37 . . . . 0.0 110.868 -175.537 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -86.26 -8.7 57.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.151 0.5 . . . . 0.0 110.373 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.478 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 38.6 m-85 -89.01 165.97 24.25 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.805 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.478 ' HD2' ' HB3' ' A' ' 117' ' ' TYR . 72.3 Cg_endo -73.77 73.37 3.59 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.121 1.88 . . . . 0.0 111.803 176.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.615 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 77.9 mt -80.81 150.89 29.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.251 178.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.561 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -59.8 152.46 58.42 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 177.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.4 -11.74 24.25 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.052 2.502 . . . . 0.0 113.275 -177.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.477 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -95.49 -26.05 15.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.034 0.445 . . . . 0.0 109.905 176.068 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.561 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.0 OUTLIER -82.75 -26.32 32.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.206 -174.261 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.441 ' HB ' ' HD3' ' A' ' 125' ' ' PRO . 73.3 mt -62.15 -57.27 24.4 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.853 -177.093 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.441 ' HD3' ' HB ' ' A' ' 124' ' ' ILE . 29.5 Cg_endo -63.35 -21.88 71.68 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.28 1.987 . . . . 0.0 112.747 179.164 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 84.7 mt -77.14 -42.81 36.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.874 0.369 . . . . 0.0 110.142 177.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.649 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.2 tm? -70.33 -36.29 74.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.552 178.102 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -47.9 -45.66 30.93 Favored 'General case' 0 N--CA 1.458 -0.067 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.046 175.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.608 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -83.93 -14.73 50.23 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.489 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.565 ' HD1' HG11 ' A' ' 72' ' ' VAL . 57.8 t80 -75.46 -46.74 30.73 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.7 ptm -70.02 -34.82 73.77 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.872 174.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.608 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -60.01 -41.29 91.81 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 120.669 0.271 . . . . 0.0 111.022 172.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 129' ' ' ALA . 1.4 tp -67.31 -33.59 75.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.929 -177.449 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 37.1 mtp85 -87.06 -9.92 54.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.751 0.31 . . . . 0.0 111.316 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -96.19 -39.46 9.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.107 0.48 . . . . 0.0 110.345 175.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.451 178.217 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.2 mttm . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 120.83 0.348 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.1 mtp -102.28 137.03 41.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.094 175.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.754 ' HB ' HG23 ' A' ' 84' ' ' ILE . 58.4 mt -111.88 122.55 66.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.26 -178.209 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -99.44 121.1 40.66 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.626 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 97.2 t -124.92 120.52 58.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -178.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.421 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 1.6 m -98.93 134.05 39.24 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.404 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.96 131.76 56.8 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.034 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.567 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.62 120.93 41.41 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.107 0.48 . . . . 0.0 110.403 -177.121 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.469 HG23 ' CG2' ' A' ' 22' ' ' ILE . 5.2 mt -94.18 99.58 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 175.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.711 HG13 HD23 ' A' ' 23' ' ' LEU . 2.2 mm -87.59 110.39 20.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -176.079 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -104.88 119.59 39.36 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.668 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.476 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -142.2 138.96 31.86 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 175.843 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.44 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 18.3 t70 79.21 -22.05 0.3 Allowed 'General case' 0 N--CA 1.474 0.757 0 O-C-N 123.956 0.785 . . . . 0.0 110.712 -175.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.21 3.78 29.37 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 -165.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -109.51 161.3 15.47 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.419 -0.891 . . . . 0.0 109.609 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.469 ' CG2' HG23 ' A' ' 15' ' ' ILE . 13.0 mt -105.81 147.04 11.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.711 HD23 HG13 ' A' ' 16' ' ' ILE . 55.2 tp -87.39 116.99 25.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.335 -178.35 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 mp -111.52 134.96 52.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.953 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.75 121.2 43.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.289 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 37' ' ' TRP . 34.9 tt0 . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 121.284 0.564 . . . . 0.0 112.272 -176.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.121 0 CA-C-O 120.934 0.186 . . . . 0.0 112.805 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.613 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 5.9 mp -77.34 155.76 31.74 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 123.001 0.521 . . . . 0.0 110.748 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 62.2 m95 -114.76 145.42 42.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.244 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -133.42 156.85 46.95 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -82.71 122.35 28.05 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 175.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.87 146.38 32.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.229 -176.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.7 -137.09 4.32 Favored Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 -176.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.22 -152.33 20.94 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.603 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -114.03 151.77 31.95 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -176.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.7 t -98.25 118.72 45.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.123 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.33 143.63 45.23 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 175.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.84 -6.04 4.26 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.964 2.442 . . . . 0.0 114.006 -173.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -115.94 12.62 15.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.855 0.359 . . . . 0.0 111.435 -177.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -135.34 158.73 43.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.979 173.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.8 m -85.24 160.03 19.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.082 -177.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -57.22 -42.67 81.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.873 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.453 ' O ' HG23 ' A' ' 55' ' ' VAL . 53.0 mtt180 -69.92 -35.51 74.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.274 178.315 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -68.09 -43.05 79.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.845 -175.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.43 88.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.797 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.71 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 22.8 mt -59.42 -47.14 86.62 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.745 0.307 . . . . 0.0 110.671 176.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 51' ' ' ARG . 53.7 t -59.21 -44.48 92.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.177 -176.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.429 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 4.3 ppt_? -76.32 -42.22 45.85 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.311 -178.282 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.84 -44.14 97.44 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.251 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.71 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 54.3 mt -66.49 -34.69 78.49 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.909 178.21 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 59' ' ' ARG . 22.6 ttt85 -61.51 -34.41 75.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.122 176.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 21.4 mt-10 -87.85 -39.85 14.48 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.511 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.592 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 54.3 mm-40 -82.19 -51.43 7.96 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.652 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 50.8 mt -97.11 -21.56 17.28 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.75 -175.244 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . 81.51 28.1 44.94 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.036 -1.078 . . . . 0.0 110.935 176.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.471 HG12 ' HB2' ' A' ' 62' ' ' LEU . 33.3 pt -125.91 146.0 32.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.369 0.604 . . . . 0.0 111.289 -177.618 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.576 ' HB2' ' HB2' ' A' ' 95' ' ' HIS . 60.2 mt-10 -91.71 93.28 8.81 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 173.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.18 154.1 24.43 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.798 -173.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.498 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 79.7 m -113.92 103.74 11.47 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.533 176.398 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.404 HG13 ' HB3' ' A' ' 89' ' ' TRP . 48.8 t -80.66 126.41 39.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.182 -178.355 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -121.03 -87.86 0.98 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.341 -0.933 . . . . 0.0 113.144 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.63 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 6.7 pt-20 -94.69 137.54 33.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.585 0.707 . . . . 0.0 112.452 -173.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -79.81 131.31 35.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.942 177.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 67.7 t -93.45 -70.15 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.801 0.334 . . . . 0.0 111.442 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.93 169.06 25.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.99 0.424 . . . . 0.0 111.304 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.0 p -134.44 146.46 49.83 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.168 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -133.78 133.76 42.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.901 -179.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -101.91 141.04 35.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.195 0.521 . . . . 0.0 110.859 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -152.79 173.68 15.0 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 175.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -121.0 150.81 40.56 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 119.341 -0.944 . . . . 0.0 111.201 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.669 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.6 p -117.99 93.55 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.782 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 171.331 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.8 m 45.5 71.12 0.3 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.21 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.18 -23.3 8.3 Favored Glycine 0 CA--C 1.522 0.496 0 CA-C-N 116.11 -0.496 . . . . 0.0 114.293 177.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.502 ' HB2' HG13 ' A' ' 79' ' ' VAL . 84.5 mtt180 -93.9 134.31 36.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.566 0.683 . . . . 0.0 110.016 -179.036 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.0 mp -93.35 114.65 30.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.841 0.353 . . . . 0.0 110.574 -173.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.754 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -93.19 137.72 21.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.385 0.612 . . . . 0.0 111.053 179.903 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -119.39 99.85 6.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.182 -0.917 . . . . 0.0 108.956 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.626 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 5.8 mp -89.36 129.34 35.91 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.327 -178.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -112.91 112.97 24.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.818 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.442 ' HB2' HD13 ' A' ' 126' ' ' LEU . . . -90.05 110.23 21.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.968 0.413 . . . . 0.0 110.332 177.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.404 ' HB3' HG13 ' A' ' 68' ' ' VAL . 86.9 m95 -105.34 136.84 44.13 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.149 178.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.63 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 19.9 t-160 -85.17 114.22 22.12 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.5 t -95.62 102.5 10.26 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 87.3 Cg_endo -85.73 -10.91 7.08 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.784 2.323 . . . . 0.0 112.869 -175.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -155.87 144.49 20.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.361 . . . . 0.0 110.914 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -146.75 149.35 33.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.101 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.576 ' HB2' ' HB2' ' A' ' 65' ' ' GLU . 92.4 m-70 -107.04 128.64 54.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.449 177.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.09 -162.03 12.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.684 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.7 m -130.41 142.34 50.51 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.528 HD13 ' H ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -78.91 132.78 36.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.62 0.724 . . . . 0.0 111.504 -173.468 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.652 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 25.2 pt20 -130.11 158.71 38.91 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.592 176.381 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -106.24 99.58 9.16 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.47 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.437 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 51.8 t-80 -77.71 -70.49 0.47 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.041 178.073 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.592 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 13.8 mt-10 -85.97 1.77 48.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.318 0.58 . . . . 0.0 110.612 177.479 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -115.79 174.21 6.14 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.706 -175.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -98.11 -54.35 3.1 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.862 -178.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.63 169.56 18.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.488 0.185 . . . . 0.0 111.429 -176.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -120.72 138.82 53.78 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.72 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.7 p -134.03 145.12 33.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.873 0.368 . . . . 0.0 110.623 174.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 22.7 m-90 -106.63 117.93 35.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.001 175.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.561 ' HB2' ' HB2' ' A' ' 113' ' ' GLU . 18.3 p -136.73 155.69 49.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.722 176.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.508 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 13.7 m -71.8 162.16 74.76 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.236 -176.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.508 ' HD2' ' HB3' ' A' ' 110' ' ' SER . 12.7 Cg_endo -56.38 -19.34 28.17 Favored 'Trans proline' 0 N--CA 1.48 0.72 0 C-N-CA 123.182 2.588 . . . . 0.0 113.152 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -89.13 -37.83 14.78 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.831 177.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.561 ' HB2' ' HB2' ' A' ' 109' ' ' CYS . 8.2 mm-40 -70.2 -38.78 75.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.022 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.26 -38.62 71.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.919 -175.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.631 HD23 HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -77.3 -11.64 59.86 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.112 -176.751 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -84.9 -11.42 55.63 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.051 0.453 . . . . 0.0 110.638 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.45 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 27.0 m-85 -86.9 155.71 55.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.568 178.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.613 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 56.6 Cg_endo -70.35 80.28 1.06 Allowed 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.059 1.84 . . . . 0.0 111.685 177.395 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 65.3 mt -85.59 152.52 23.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.192 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.57 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -66.14 156.74 83.68 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.569 178.113 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.41 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 13.6 Cg_endo -57.07 -16.37 20.92 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.227 2.618 . . . . 0.0 113.762 -177.365 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.508 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -95.59 -23.91 16.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.857 0.361 . . . . 0.0 111.02 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.57 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.6 m-20 -81.8 -26.04 34.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.795 -175.222 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.698 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 74.3 mt -63.85 -60.11 9.82 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.807 -176.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.488 ' HA ' ' OE1' ' A' ' 128' ' ' GLU . 10.9 Cg_endo -54.09 -33.94 75.93 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 122.807 2.338 . . . . 0.0 112.953 -179.034 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' A' ' 88' ' ' ALA . 89.1 mt -72.02 -40.65 68.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.808 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.631 HD12 HD23 ' A' ' 115' ' ' LEU . 2.6 tm? -72.88 -37.24 67.39 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -178.169 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.698 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 42.5 mt-10 -51.19 -43.4 61.33 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.885 177.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.405 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -78.61 -25.15 45.1 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.641 -178.201 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.481 ' O ' ' HG3' ' A' ' 134' ' ' ARG . 72.7 t80 -70.94 -45.48 64.1 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.8 ptm -69.18 -34.33 74.77 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.002 175.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -56.93 -44.83 82.85 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.988 0.423 . . . . 0.0 110.931 173.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.43 -35.06 79.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.248 -177.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 130' ' ' PHE . 49.6 mtp85 -79.84 -23.13 42.19 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.9 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -84.23 -37.52 21.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.42 -177.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.543 -176.826 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.446 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 67.5 mtt -112.96 141.64 46.57 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.446 0.641 . . . . 0.0 111.3 -176.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.803 ' HB ' HG23 ' A' ' 84' ' ' ILE . 37.4 mt -113.1 124.42 69.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 114.782 -1.099 . . . . 0.0 108.496 178.558 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -98.24 124.83 43.05 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -175.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 84.1 t -131.82 136.93 56.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.491 HG12 ' HB2' ' A' ' 87' ' ' HIS . 2.8 m -110.05 138.75 36.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-O 120.965 0.412 . . . . 0.0 110.481 177.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.85 130.98 56.05 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.486 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.557 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.64 114.78 29.3 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.051 0.453 . . . . 0.0 110.071 -178.446 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.564 HG23 HG23 ' A' ' 22' ' ' ILE . 7.3 mt -90.94 99.63 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.609 HG13 HD23 ' A' ' 23' ' ' LEU . 2.1 mm -81.12 102.05 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 -179.024 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 37.2 tt0 -110.93 119.18 38.22 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.23 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.532 HH12 ' HA ' ' A' ' 93' ' ' ASP . 5.2 tpt180 -137.16 125.28 22.98 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.503 177.624 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 72.17 7.63 5.77 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.79 0.681 . . . . 0.0 111.841 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.63 10.6 46.66 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.168 -1.015 . . . . 0.0 111.522 -176.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 7.9 mttt -121.52 144.76 48.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 110.467 179.299 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.564 HG23 HG23 ' A' ' 15' ' ' ILE . 28.3 mt -104.82 150.16 7.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.317 -177.206 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.609 HD23 HG13 ' A' ' 16' ' ' ILE . 35.4 tp -89.87 122.45 32.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.236 0.541 . . . . 0.0 111.231 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.433 HD13 ' SG ' ' A' ' 109' ' ' CYS . 6.1 mp -117.18 138.52 51.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.892 177.23 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.04 121.35 38.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.023 0.44 . . . . 0.0 111.489 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.116 -178.132 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.436 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.585 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 6.7 mp -78.93 151.72 31.54 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.136 0.493 . . . . 0.0 111.197 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.446 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 39.3 m95 -110.72 147.13 35.03 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.221 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -136.3 163.6 30.05 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.553 0.216 . . . . 0.0 110.464 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.565 ' HZ ' HD23 ' A' ' 127' ' ' LEU . 96.5 m-85 -80.77 118.39 22.26 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 174.16 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.06 144.09 30.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.225 -177.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.05 -137.75 4.72 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.531 ' HA3' ' HG3' ' A' ' 57' ' ' GLU . . . 172.86 169.7 35.73 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.15 -1.024 . . . . 0.0 113.143 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -78.02 146.28 35.45 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.414 -0.393 . . . . 0.0 110.326 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.6 t -98.85 125.44 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.154 -175.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -88.79 145.72 35.47 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.71 1.16 2.39 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.548 2.165 . . . . 0.0 112.846 -176.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -106.56 -3.12 21.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.956 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -131.03 170.87 13.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.117 0.484 . . . . 0.0 111.569 -178.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.2 t -93.12 155.67 17.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.662 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -60.31 -49.35 77.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.857 0.361 . . . . 0.0 110.712 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 55' ' ' VAL . 73.5 mtt180 -62.36 -38.68 90.47 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.176 0.513 . . . . 0.0 110.199 176.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -67.95 -40.05 83.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.381 -174.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.93 94.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.332 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.681 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 28.6 mt -60.23 -47.06 87.55 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.899 0.381 . . . . 0.0 110.773 176.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 51' ' ' ARG . 69.6 t -60.1 -46.93 93.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.335 -177.096 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -70.92 -39.85 72.46 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.203 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.531 ' HG3' ' HA3' ' A' ' 42' ' ' GLY . 5.1 mm-40 -63.55 -44.58 93.74 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 177.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 39.7 mt -66.31 -31.81 72.84 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.46 -178.436 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -62.82 -31.89 72.97 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.846 174.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -86.69 -39.85 15.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.225 -178.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.654 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 70.7 mm-40 -92.12 -43.49 9.34 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -176.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.684 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 65.7 mt -106.06 4.57 29.4 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.647 -173.183 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.28 25.5 26.27 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 114.765 0.666 . . . . 0.0 114.765 -178.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.4 pt -127.35 145.38 34.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 117.98 0.89 . . . . 0.0 111.988 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 35.4 mt-10 -93.67 95.07 8.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.123 -0.944 . . . . 0.0 108.626 174.095 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.22 156.97 22.89 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.221 0.534 . . . . 0.0 111.682 -174.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.49 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 55.2 m -114.46 104.02 11.62 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.172 175.296 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.454 ' HB ' ' HB3' ' A' ' 51' ' ' ARG . 41.4 t -82.95 132.44 31.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.04 -176.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -137.03 -76.8 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.359 -0.924 . . . . 0.0 113.459 -175.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.637 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 15.7 pt-20 -91.06 131.6 36.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.443 0.64 . . . . 0.0 111.835 -172.508 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.627 ' HE1' ' HB3' ' A' ' 87' ' ' HIS . 11.7 t80 -83.16 134.25 34.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.795 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.479 HG13 HD22 ' A' ' 133' ' ' LEU . 97.0 t -95.17 -69.84 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.708 0.29 . . . . 0.0 111.253 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -158.43 175.26 13.93 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.46 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.8 154.08 51.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.473 176.185 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -143.8 144.58 31.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.73 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.504 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 75.0 mt-30 -113.16 135.15 54.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.138 0.494 . . . . 0.0 111.08 177.166 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.715 ' HD3' ' HB2' ' A' ' 122' ' ' ALA . 23.3 ptt180 -138.29 158.36 44.44 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 8.3 pt-20 -104.04 138.04 41.14 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 119.53 -0.868 . . . . 0.0 111.402 -176.076 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.705 ' HB ' HD11 ' A' ' 84' ' ' ILE . 3.3 p -119.7 95.58 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.641 174.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.9 m 47.41 68.41 0.65 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.864 -178.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 81.59 -14.71 28.69 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 121.009 -0.615 . . . . 0.0 114.553 178.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.552 ' HB2' HG13 ' A' ' 79' ' ' VAL . 89.0 mtt180 -102.28 148.83 24.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.635 0.717 . . . . 0.0 110.075 -178.356 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' A' ' 8' ' ' MET . 2.0 mp -104.56 115.75 47.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 120.781 0.324 . . . . 0.0 110.388 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.803 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -90.55 138.55 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.061 0.458 . . . . 0.0 110.29 177.871 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -117.61 100.75 7.84 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.62 -177.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 8.1 mp -88.8 129.96 35.46 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.812 0.339 . . . . 0.0 110.692 -177.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.627 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . 84.3 m-70 -111.46 112.91 24.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.786 178.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.79 117.25 29.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.754 0.311 . . . . 0.0 110.612 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -110.56 141.29 43.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.247 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.637 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 31.3 t-80 -85.99 123.04 30.87 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.9 t -90.02 106.55 14.92 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.812 0.339 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 71.7 Cg_endo -76.75 -27.55 7.19 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.924 2.416 . . . . 0.0 112.578 -177.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.532 ' HA ' HH12 ' A' ' 18' ' ' ARG . 5.1 t70 -159.95 154.62 24.2 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.667 0.27 . . . . 0.0 111.125 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -147.13 142.91 27.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.443 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 41.4 t60 -98.74 120.44 39.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.842 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.13 -159.71 18.74 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.506 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 32.1 m -121.86 126.96 49.91 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.68 HD23 ' H ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -77.6 120.85 23.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.274 0.559 . . . . 0.0 111.033 -172.38 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.684 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 27.8 pt20 -128.2 170.85 12.52 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.235 -177.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.579 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -114.08 117.53 31.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.862 0.363 . . . . 0.0 111.338 178.184 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.654 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 29.9 t-80 -90.49 -77.47 0.4 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.888 -179.053 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.64 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 18.4 mm-40 -83.87 -21.11 32.09 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.433 0.635 . . . . 0.0 110.635 -179.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.421 ' O ' ' HB1' ' A' ' 100' ' ' ALA . 66.9 m80 -89.67 142.01 28.08 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.263 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -77.43 -56.89 4.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.885 0.374 . . . . 0.0 111.663 -171.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -118.33 154.75 31.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.987 -176.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.579 HD13 ' HB2' ' A' ' 100' ' ' ALA . 1.6 tp -131.55 126.03 33.82 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.77 145.07 35.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.97 0.414 . . . . 0.0 110.637 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.475 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 38.3 p90 -113.3 117.03 30.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.425 0.631 . . . . 0.0 109.452 173.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.433 ' SG ' HD13 ' A' ' 24' ' ' LEU . 24.6 p -137.46 156.86 47.66 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.318 -176.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.529 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 5.1 m -64.64 155.18 82.74 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -177.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.468 ' O ' HD11 ' A' ' 127' ' ' LEU . 3.1 Cg_endo -46.56 -50.63 10.14 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.244 2.63 . . . . 0.0 113.397 -177.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.14 -24.84 62.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.756 0.312 . . . . 0.0 111.372 -176.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.529 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 25.0 mm-40 -73.79 -37.3 65.0 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.242 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.77 -34.95 68.1 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.862 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.692 ' HG ' HD12 ' A' ' 127' ' ' LEU . 14.1 mt -76.47 -11.65 59.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.546 -178.435 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -85.97 -4.94 59.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.275 0.559 . . . . 0.0 109.977 176.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -94.08 160.12 32.85 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.287 176.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.585 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 59.6 Cg_endo -73.14 78.1 2.29 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.827 1.685 . . . . 0.0 111.838 175.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.501 HD12 HD23 ' A' ' 115' ' ' LEU . 71.6 mt -82.74 153.6 25.22 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.307 177.356 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.632 ' HB1' ' HD2' ' A' ' 121' ' ' PRO . . . -63.37 160.65 39.89 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.632 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 10.3 Cg_endo -51.8 -37.28 65.28 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.554 2.836 . . . . 0.0 114.19 -173.597 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.715 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -92.61 -13.88 28.98 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.87 -177.132 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.56 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.0 OUTLIER -78.93 -27.11 43.66 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.169 -175.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.65 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 41.5 mm -62.28 -61.97 6.65 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.989 176.519 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.569 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 10.9 Cg_endo -55.64 -31.9 81.32 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 122.936 2.424 . . . . 0.0 113.348 178.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 70.7 mt -67.59 -40.01 84.8 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-O 121.066 0.46 . . . . 0.0 110.136 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.692 HD12 ' HG ' ' A' ' 115' ' ' LEU . 2.0 tm? -73.72 -37.39 65.15 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.457 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.65 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 36.4 mt-10 -57.39 -40.43 78.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.704 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.39 -26.0 51.38 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.395 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -69.91 -45.49 67.44 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.1 ptm -68.93 -33.4 73.66 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.731 175.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.33 -43.22 88.15 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-O 120.901 0.381 . . . . 0.0 110.952 171.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.479 HD22 HG13 ' A' ' 72' ' ' VAL . 2.7 mp -64.2 -42.49 96.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.685 -179.143 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -73.13 -21.88 60.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.804 -178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -92.16 -39.71 11.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.643 0.259 . . . . 0.0 111.599 -177.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.157 -178.485 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.8 mtm -100.4 139.31 36.27 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.33 0.586 . . . . 0.0 110.337 173.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.804 ' HB ' HG23 ' A' ' 84' ' ' ILE . 35.0 mt -104.78 114.54 44.66 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 176.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -88.75 126.7 35.45 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -174.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.695 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 87.2 t -130.37 117.35 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.04 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.548 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 3.4 m -97.99 132.72 42.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.498 -178.373 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.48 126.76 53.84 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -177.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.652 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.04 113.59 26.96 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.258 0.551 . . . . 0.0 109.732 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.503 HG23 HG23 ' A' ' 22' ' ' ILE . 7.5 mt -86.4 102.22 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.742 HG13 HD23 ' A' ' 23' ' ' LEU . 2.3 mm -81.37 100.8 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -177.142 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.699 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . 4.4 tt0 -112.16 108.72 18.08 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 18' ' ' ARG . 4.3 tpt180 -130.72 130.48 43.87 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.067 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 64.0 17.27 10.49 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.629 0.581 . . . . 0.0 110.974 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.26 4.25 66.64 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.702 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 6.3 mmtt -112.4 143.69 43.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.979 0.389 . . . . 0.0 110.48 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.566 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 43.9 mt -104.46 146.33 11.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.863 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.742 HD23 HG13 ' A' ' 16' ' ' ILE . 63.1 tp -89.8 121.62 32.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.227 0.537 . . . . 0.0 111.627 -178.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.505 HD23 HD21 ' A' ' 119' ' ' LEU . 3.7 mp -112.3 138.78 48.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.109 174.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.06 121.32 31.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.029 0.443 . . . . 0.0 111.574 -176.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.465 -177.069 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.507 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.5 mt -80.09 154.13 28.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.906 0.384 . . . . 0.0 110.758 177.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.641 ' HD1' ' HG2' ' A' ' 118' ' ' PRO . 34.2 m95 -118.95 149.84 40.93 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -145.21 165.7 27.59 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 174.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.417 ' HE1' HG21 ' A' ' 22' ' ' ILE . 65.5 m-85 -73.04 143.48 47.48 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 177.222 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.01 153.25 42.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.901 0.382 . . . . 0.0 110.539 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 155.49 -134.0 3.99 Favored Glycine 0 N--CA 1.44 -1.037 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -175.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.511 ' HA3' ' OE2' ' A' ' 57' ' ' GLU . . . 163.71 -154.8 25.87 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 119.745 -1.216 . . . . 0.0 113.445 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.511 ' HE3' HG23 ' A' ' 9' ' ' ILE . 84.4 tttt -105.9 148.69 27.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.829 0.347 . . . . 0.0 110.606 -172.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.2 t -105.95 110.59 31.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -93.53 152.85 41.23 Favored Pre-proline 0 C--N 1.315 -0.923 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -67.94 19.73 0.13 Allowed 'Trans proline' 0 N--CA 1.478 0.562 0 C-N-CA 123.28 2.654 . . . . 0.0 114.724 -167.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -119.25 -3.94 10.51 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.925 0.393 . . . . 0.0 110.804 175.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -126.79 165.14 19.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.226 0.536 . . . . 0.0 111.742 -177.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.444 ' HB3' ' HB3' ' A' ' 52' ' ' GLN . 31.5 t -88.06 154.93 20.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.534 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -60.32 -47.59 85.36 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.816 0.341 . . . . 0.0 110.865 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.548 ' O ' HG23 ' A' ' 55' ' ' VAL . 86.1 mtm180 -66.46 -41.61 88.81 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 120.998 0.427 . . . . 0.0 109.884 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.444 ' HB3' ' HB3' ' A' ' 49' ' ' SER . 5.6 tt0 -69.2 -32.23 71.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.217 -175.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -59.8 -48.64 80.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.062 176.156 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.692 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.8 mt -62.24 -45.99 90.84 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.017 0.437 . . . . 0.0 110.392 177.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 51' ' ' ARG . 76.3 t -56.97 -46.57 83.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.928 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.611 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.8 ppt_? -76.03 -40.41 53.54 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.49 -177.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.511 ' OE2' ' HA3' ' A' ' 42' ' ' GLY . 7.3 mm-40 -59.48 -45.77 90.7 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.633 0.254 . . . . 0.0 111.353 178.665 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 23.6 mt -68.64 -33.89 74.78 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 121.194 0.521 . . . . 0.0 109.779 178.194 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 3.7 ttm180 -60.19 -35.8 76.21 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.037 175.334 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.611 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 24.9 mt-10 -87.62 -40.02 14.56 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.895 -177.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.632 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 3.1 mm-40 -88.16 -50.39 6.41 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.684 -179.124 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.707 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 55.0 mt -96.94 5.05 51.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.806 -170.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.88 27.79 30.05 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.205 -0.522 . . . . 0.0 114.367 -176.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.41 HG12 ' HB2' ' A' ' 62' ' ' LEU . 44.2 pt -129.3 135.78 60.98 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 CA-C-N 117.749 0.774 . . . . 0.0 111.561 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.566 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 27.1 mt-10 -91.6 94.85 9.61 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 176.636 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.498 ' O ' HG22 ' A' ' 55' ' ' VAL . . . -84.66 161.8 19.96 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.134 -172.213 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 93' ' ' ASP . 14.3 t -116.13 143.89 44.89 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 172.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.1 t -108.87 119.68 58.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -163.63 56.71 0.28 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 119.419 -1.372 . . . . 0.0 114.318 -174.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.552 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 12.2 pt-20 161.63 106.84 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.092 0.957 . . . . 0.0 109.621 177.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.503 ' HA ' ' CD1' ' A' ' 89' ' ' TRP . 80.9 t80 -80.4 131.14 35.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.803 -175.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 85.0 t -96.99 -71.19 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.525 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -161.86 -178.5 6.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 0.0 111.576 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.1 p -140.49 154.42 46.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.024 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -144.42 145.79 32.11 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 175.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -111.59 141.02 45.72 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.325 0.583 . . . . 0.0 111.559 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.614 ' HD3' ' HB2' ' A' ' 122' ' ' ALA . 33.3 ptt180 -146.5 158.77 43.95 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 106.5 -1.666 . . . . 0.0 106.5 176.04 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -112.89 151.04 30.95 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 119.342 -0.943 . . . . 0.0 111.082 -177.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.602 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.5 p -120.36 93.11 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 170.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.7 m 39.22 76.35 0.06 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.919 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.01 -24.34 9.24 Favored Glycine 0 CA--C 1.517 0.198 0 CA-C-N 115.811 -0.631 . . . . 0.0 114.242 175.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.492 ' HB2' HG13 ' A' ' 79' ' ' VAL . 73.7 mtt85 -93.62 133.61 36.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.455 0.628 . . . . 0.0 110.137 178.116 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.1 mp -93.94 113.69 29.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -176.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.804 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -88.28 129.27 39.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.196 0.522 . . . . 0.0 109.622 179.056 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -111.0 105.3 14.02 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.542 -173.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.695 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.3 mp -93.01 123.07 35.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.102 0.477 . . . . 0.0 111.448 -177.268 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -106.29 115.3 29.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.995 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -97.73 116.86 30.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.049 0.452 . . . . 0.0 111.064 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.503 ' CD1' ' HA ' ' A' ' 71' ' ' TYR . 1.7 m-90 -117.62 152.13 35.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.374 175.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.699 ' NE2' ' HB3' ' A' ' 17' ' ' GLU . 10.2 t-160 -99.69 127.54 45.81 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 173.368 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.1 m -90.8 107.83 23.36 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-O 121.149 0.499 . . . . 0.0 110.136 176.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.74 -23.43 19.3 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.581 2.188 . . . . 0.0 112.163 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.414 ' O ' HG22 ' A' ' 67' ' ' THR . 19.7 t70 -150.92 143.99 24.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 -177.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -137.25 167.85 20.77 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.654 177.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.566 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 10.5 t60 -122.75 119.87 31.93 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -177.369 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.75 -156.8 15.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.24 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 87.4 m -124.32 132.2 53.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.519 HD23 ' H ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -73.99 120.37 19.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.28 0.562 . . . . 0.0 110.936 -174.364 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.707 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 11.0 pt20 -131.18 171.07 13.72 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.565 -178.252 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.754 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -113.75 109.35 18.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.047 0.451 . . . . 0.0 111.415 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.632 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 12.0 t-80 -86.46 -67.52 0.81 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.774 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.47 ' HB2' ' CD ' ' A' ' 61' ' ' GLU . 16.7 mt-10 -93.19 -36.99 12.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.356 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.55 ' O ' ' HB1' ' A' ' 100' ' ' ALA . 67.3 m80 -69.02 144.96 53.92 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 173.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -86.0 -68.27 0.75 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.771 -0.371 . . . . 0.0 111.637 -171.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.462 ' O ' HD12 ' A' ' 106' ' ' LEU . . . -110.67 149.2 30.79 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.754 HD13 ' HB2' ' A' ' 100' ' ' ALA . 6.1 mp -129.64 134.42 47.67 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 120.912 0.387 . . . . 0.0 110.249 -178.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.1 m -127.59 143.66 39.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.596 178.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 7.6 p90 -110.97 117.0 32.16 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.501 173.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 113' ' ' GLU . 29.0 p -142.4 156.12 45.18 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.982 -178.152 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 m -61.17 156.8 47.53 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.464 ' O ' HD11 ' A' ' 127' ' ' LEU . 1.4 Cg_endo -46.6 -46.37 17.83 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.815 2.343 . . . . 0.0 112.806 177.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.53 -33.03 74.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.48 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.447 ' HA ' ' OE1' ' A' ' 116' ' ' GLN . 19.1 mm-40 -72.66 -35.94 67.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.286 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.07 -38.71 76.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.262 -175.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.725 HD11 HG23 ' A' ' 124' ' ' ILE . 0.2 OUTLIER -72.82 -11.12 60.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.554 0.216 . . . . 0.0 111.324 -175.781 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.447 ' OE1' ' HA ' ' A' ' 113' ' ' GLU . 50.5 mt-30 -82.02 -10.18 59.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.864 0.364 . . . . 0.0 110.758 176.024 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -93.52 160.44 32.98 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.866 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.641 ' HG2' ' HD1' ' A' ' 37' ' ' TRP . 68.0 Cg_endo -72.35 72.07 2.95 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.201 1.934 . . . . 0.0 111.473 178.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.632 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 76.8 mt -79.87 151.54 30.13 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 176.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.539 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -61.34 155.06 59.86 Favored Pre-proline 0 C--N 1.327 -0.409 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.746 178.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.5 -4.65 4.54 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.082 2.522 . . . . 0.0 112.891 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.614 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -99.25 -31.44 11.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.775 0.321 . . . . 0.0 110.44 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.539 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.6 m-20 -79.61 -25.09 41.57 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.676 -175.523 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.725 HG23 HD11 ' A' ' 115' ' ' LEU . 85.4 mt -61.92 -58.67 16.53 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.17 178.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.482 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 11.4 Cg_endo -57.71 -26.42 73.04 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 122.541 2.161 . . . . 0.0 112.874 176.42 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 97.3 mt -73.82 -45.59 50.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.099 0.476 . . . . 0.0 109.932 179.156 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.563 HD12 HD23 ' A' ' 115' ' ' LEU . 3.1 tm? -69.56 -38.16 77.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.75 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -49.6 -45.92 48.56 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.892 175.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.541 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -84.27 -14.28 50.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.65 -178.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -76.43 -46.94 24.87 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.1 ptm -70.15 -29.2 66.05 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.588 175.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -64.38 -40.17 95.29 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 120.677 0.275 . . . . 0.0 110.834 171.242 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.56 -39.36 84.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.553 -177.621 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.439 ' HD2' ' OE2' ' A' ' 17' ' ' GLU . 19.2 mtp180 -70.52 -24.32 62.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.406 178.093 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.12 -35.3 15.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.78 -177.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.397 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -177.725 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 120.954 0.407 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.403 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 52.2 mtt -95.29 134.25 38.27 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.838 176.135 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.595 ' HB ' HG23 ' A' ' 84' ' ' ILE . 19.7 mt -104.97 110.31 30.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 177.378 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -95.27 125.19 39.73 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 120.259 -0.576 . . . . 0.0 109.525 -173.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 98.8 t -127.86 125.66 65.34 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.421 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 2.7 m -98.54 130.25 47.65 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.4 125.21 52.16 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 -176.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.545 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -100.85 113.13 25.79 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.352 -177.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.52 HG23 HG23 ' A' ' 22' ' ' ILE . 6.3 mt -91.45 100.04 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.238 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.024 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.813 HG13 HD23 ' A' ' 23' ' ' LEU . 2.6 mm -84.19 101.36 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.6 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . 5.2 tm-20 -119.52 120.91 38.14 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -176.433 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -148.36 137.51 21.88 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.383 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 66.95 17.46 10.52 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.415 0.447 . . . . 0.0 111.221 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.4 10.98 72.88 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.569 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.539 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -119.18 149.55 41.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 117.06 0.43 . . . . 0.0 110.358 176.526 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.52 HG23 HG23 ' A' ' 15' ' ' ILE . 41.0 mt -107.51 139.77 28.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.108 177.14 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.813 HD23 HG13 ' A' ' 16' ' ' ILE . 41.3 tp -77.24 114.98 16.64 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.276 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.626 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 22.9 mt -109.54 136.24 49.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.9 173.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.476 ' HB1' ' CB ' ' A' ' 103' ' ' HIS . . . -118.19 120.37 37.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.994 -177.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.733 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.287 0 CA-C-O 120.779 0.099 . . . . 0.0 113.194 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.492 ' HA ' ' HG2' ' A' ' 118' ' ' PRO . 17.8 mt -77.32 147.23 36.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.709 0.29 . . . . 0.0 111.183 -177.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.626 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 39.4 m95 -116.43 153.25 32.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -153.11 175.73 12.69 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.45 ' CD1' HG12 ' A' ' 15' ' ' ILE . 89.7 m-85 -83.38 150.01 26.35 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.52 161.92 27.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.92 -134.48 4.73 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.56 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.553 ' HA3' ' OE2' ' A' ' 57' ' ' GLU . . . 163.25 -179.55 38.35 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.21 -0.995 . . . . 0.0 113.121 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -80.27 148.69 30.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.936 0.398 . . . . 0.0 110.527 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.4 t -102.0 124.99 56.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.673 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -82.48 147.87 57.29 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 175.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.29 -5.29 5.02 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 122.755 2.303 . . . . 0.0 113.28 -177.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -106.87 5.23 28.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.616 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -135.36 155.63 50.27 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 177.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.6 t -90.31 166.85 13.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.773 0.321 . . . . 0.0 110.655 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -60.45 -43.24 97.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.34 -176.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -64.66 -42.75 95.19 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.391 0.615 . . . . 0.0 109.783 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -65.31 -41.42 94.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.646 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.15 -45.84 91.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.674 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.702 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 37.5 mt -60.63 -47.13 87.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.889 0.376 . . . . 0.0 110.717 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 65.2 t -59.11 -48.64 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.226 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.558 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 5.6 ppt_? -70.32 -41.76 72.85 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.364 -177.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.553 ' OE2' ' HA3' ' A' ' 42' ' ' GLY . 5.1 mm-40 -60.4 -47.27 86.82 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 31.5 mt -66.96 -33.33 75.35 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.081 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -61.2 -35.74 78.01 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.204 175.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 23.9 mt-10 -86.88 -36.71 18.26 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.275 -177.38 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.569 ' HG2' ' HG2' ' A' ' 102' ' ' GLU . 4.2 mt-10 -86.24 -53.99 4.71 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.644 179.244 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.706 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 50.5 mt -99.16 2.92 46.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.187 -168.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 50.39 30.15 18.2 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 114.403 0.521 . . . . 0.0 114.403 -174.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.601 HG12 ' HB2' ' A' ' 62' ' ' LEU . 42.8 pt -121.27 142.73 36.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 117.793 0.797 . . . . 0.0 111.449 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -96.41 98.28 10.13 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.358 174.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.658 ' HB1' ' HH2' ' A' ' 89' ' ' TRP . . . -88.33 156.47 19.15 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.191 0.52 . . . . 0.0 112.04 -173.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.8 m -112.79 113.77 26.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.305 176.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.9 t -89.32 133.05 32.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.404 0.145 . . . . 0.0 110.848 -176.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . 175.16 62.06 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.707 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 70' ' ' GLU . 11.2 pt-20 155.09 99.24 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.519 1.127 . . . . 0.0 109.766 -178.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.506 ' CD1' ' HB2' ' A' ' 89' ' ' TRP . 46.8 m-85 -95.95 146.11 24.87 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.908 -0.495 . . . . 0.0 111.0 -178.311 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.439 HG13 HD12 ' A' ' 133' ' ' LEU . 61.8 t -93.15 -69.65 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.888 -175.143 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -155.48 172.7 17.8 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.343 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.1 m -130.91 150.92 51.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.387 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -145.1 148.75 33.99 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -110.83 140.69 45.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.041 0.448 . . . . 0.0 111.285 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.712 HH11 ' HB3' ' A' ' 122' ' ' ALA . 27.9 ptt180 -144.51 167.31 22.8 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 174.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -120.59 149.74 41.98 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 119.118 -1.033 . . . . 0.0 111.952 -179.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.667 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.6 p -121.99 95.96 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.177 -0.92 . . . . 0.0 108.899 173.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.5 p 43.97 71.87 0.22 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.156 -176.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.38 -22.64 8.34 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 120.97 -0.633 . . . . 0.0 114.388 176.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.48 ' HB2' HG13 ' A' ' 79' ' ' VAL . 72.1 mtt85 -93.95 137.86 32.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 117.523 0.662 . . . . 0.0 110.225 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.405 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.0 mp -95.35 114.91 33.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.14 0.495 . . . . 0.0 110.494 -176.214 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.667 HD11 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -89.48 128.4 41.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.352 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -108.86 106.56 16.6 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.713 -177.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.55 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.5 mp -99.87 128.46 45.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.654 0.264 . . . . 0.0 110.698 -179.331 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -119.64 116.92 26.98 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 175.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.58 133.58 34.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.924 0.392 . . . . 0.0 111.067 -178.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.658 ' HH2' ' HB1' ' A' ' 66' ' ' ALA . 6.9 t90 -129.66 135.8 48.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.541 -178.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.6 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 35.8 t-80 -92.83 132.41 37.01 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.648 HG12 ' HA ' ' A' ' 16' ' ' ILE . 7.4 p -89.14 110.91 41.75 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-O 121.486 0.66 . . . . 0.0 111.46 -175.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 56.3 Cg_endo -73.95 -28.47 11.15 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.596 2.197 . . . . 0.0 111.926 177.647 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -158.19 142.23 15.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.734 -178.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 38.5 p90 -146.54 141.18 26.75 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.815 176.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -110.09 119.69 40.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.541 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 131.19 -167.08 22.57 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.269 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.7 m -119.69 122.31 41.21 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.575 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -76.41 124.12 27.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.695 0.76 . . . . 0.0 111.299 -172.165 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.706 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 12.3 pt20 -132.0 169.61 16.09 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.367 -177.31 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' A' ' 103' ' ' HIS . . . -111.24 119.61 39.51 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.879 0.371 . . . . 0.0 111.086 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -110.19 -56.85 2.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.511 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.569 ' HG2' ' HG2' ' A' ' 61' ' ' GLU . 47.1 mm-40 -83.16 -45.63 13.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.676 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.476 ' CB ' ' HB1' ' A' ' 25' ' ' ALA . 75.2 m80 -80.9 163.42 23.38 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 171.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -87.02 -65.57 1.0 Allowed 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -171.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.68 164.76 20.57 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 122.323 -0.235 . . . . 0.0 111.266 -175.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.504 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.8 mm? -119.52 139.78 51.57 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.0 p -132.23 140.61 47.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.669 0.271 . . . . 0.0 110.658 171.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -99.92 111.04 23.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.877 0.37 . . . . 0.0 110.639 176.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 12.8 p -129.22 148.15 51.13 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.382 177.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.563 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 2.7 m -60.7 160.44 19.54 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.517 -179.358 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.632 ' O ' HD11 ' A' ' 127' ' ' LEU . 5.1 Cg_endo -47.97 -54.49 5.13 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.866 2.377 . . . . 0.0 112.815 177.133 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.55 -27.19 65.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.723 0.297 . . . . 0.0 111.373 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.563 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 70.2 mm-40 -73.21 -35.31 66.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.19 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.61 -38.68 85.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.772 -177.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.622 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -73.33 -14.03 61.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.105 0.478 . . . . 0.0 110.572 -177.332 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -83.52 -11.79 57.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.199 0.523 . . . . 0.0 110.119 175.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -87.15 162.35 43.73 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.543 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.492 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 58.3 Cg_endo -72.58 79.07 1.93 Allowed 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 121.927 1.751 . . . . 0.0 112.167 177.403 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.453 HD12 HD22 ' A' ' 115' ' ' LEU . 73.0 mt -86.66 153.88 21.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.608 177.404 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.496 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -65.72 155.77 85.09 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.751 178.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.414 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 9.7 Cg_endo -52.8 -30.03 45.28 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.524 2.816 . . . . 0.0 114.247 -175.529 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.712 ' HB3' HH11 ' A' ' 77' ' ' ARG . . . -93.02 -18.03 23.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.975 0.417 . . . . 0.0 111.117 -178.038 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.496 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.2 m-20 -81.69 -24.1 36.43 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.483 -176.257 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.614 HG23 HD11 ' A' ' 115' ' ' LEU . 77.2 mt -61.21 -59.61 13.18 Favored Pre-proline 0 CA--C 1.54 0.592 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.846 176.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.497 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 10.3 Cg_endo -53.6 -30.7 56.35 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.925 2.417 . . . . 0.0 113.119 177.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 98.6 mt -71.19 -46.85 60.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.132 0.491 . . . . 0.0 110.178 -178.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.632 HD11 ' O ' ' A' ' 111' ' ' PRO . 3.3 tm? -72.15 -37.79 69.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.086 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.57 -40.37 65.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.137 177.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.73 -26.02 40.92 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 120.554 -0.459 . . . . 0.0 111.273 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.486 ' HB3' HD22 ' A' ' 127' ' ' LEU . 86.8 t80 -65.95 -45.83 80.35 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 15.4 ptp -69.46 -37.42 77.32 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.988 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.48 -44.18 89.27 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.077 0.465 . . . . 0.0 111.432 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.439 HD12 HG13 ' A' ' 72' ' ' VAL . 45.1 mt -64.49 -45.4 87.5 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.032 -177.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 36.7 mtp85 -75.88 -16.9 59.97 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.763 -177.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.96 -38.29 12.35 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 177.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -175.014 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.8 mttm . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.457 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 70.3 mtm -102.43 138.12 39.77 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.385 0.612 . . . . 0.0 111.185 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.81 ' HB ' HG23 ' A' ' 84' ' ' ILE . 42.1 mt -112.75 117.93 56.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 114.704 -1.135 . . . . 0.0 108.294 178.366 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -92.62 124.64 36.79 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -175.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 57.9 t -125.49 128.02 72.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -179.006 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.482 ' HB ' HD21 ' A' ' 54' ' ' LEU . 3.1 m -106.96 128.95 61.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.301 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.39 124.1 51.66 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.86 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.516 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -101.82 112.77 25.49 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.443 -177.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.547 HG23 HG23 ' A' ' 22' ' ' ILE . 7.5 mt -92.79 100.25 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.14 177.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.75 HD13 HG21 ' A' ' 91' ' ' VAL . 1.2 mm -81.37 101.78 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.479 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . 6.1 tm-20 -123.35 124.02 42.02 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.182 0.515 . . . . 0.0 109.697 -174.61 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -145.46 137.71 25.68 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.376 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 67.99 2.63 3.22 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.645 0.59 . . . . 0.0 112.183 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.98 10.02 40.99 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.288 -0.958 . . . . 0.0 112.134 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -123.14 144.97 48.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.817 0.341 . . . . 0.0 110.184 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.547 HG23 HG23 ' A' ' 15' ' ' ILE . 35.3 mt -106.51 149.07 10.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.886 -175.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.662 ' HB2' ' HB ' ' A' ' 16' ' ' ILE . 1.4 tt -85.74 120.06 26.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.29 178.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.495 HD13 ' SG ' ' A' ' 109' ' ' CYS . 7.3 mp -118.01 134.28 55.12 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.907 175.301 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.91 126.36 53.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.475 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 . . . . . 0 C--N 1.322 -0.615 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 175.927 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.547 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.497 HD23 ' HB2' ' A' ' 118' ' ' PRO . 17.3 mt -76.66 150.78 36.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.783 0.325 . . . . 0.0 111.299 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.473 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 50.1 m95 -115.35 148.79 38.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.363 176.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -140.73 163.61 32.43 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 175.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.465 ' HZ ' HD23 ' A' ' 127' ' ' LEU . 68.7 m-85 -76.24 159.18 30.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 174.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.459 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -82.21 164.88 20.92 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.316 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.15 -133.09 5.49 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.578 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' O ' HG13 ' A' ' 11' ' ' VAL . . . 160.16 -146.23 12.34 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.525 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.548 ' HG2' ' N ' ' A' ' 44' ' ' VAL . 54.7 tttt -111.36 153.99 25.22 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.931 0.396 . . . . 0.0 110.316 -175.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.548 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 38.3 t -106.77 106.29 20.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.256 177.045 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -68.12 150.1 97.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 176.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -60.85 0.93 0.66 Allowed 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 123.072 2.515 . . . . 0.0 114.595 -172.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -108.91 -15.48 14.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.992 0.425 . . . . 0.0 111.946 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.408 ' HG3' HG13 ' A' ' 44' ' ' VAL . 17.2 pt-20 -108.52 159.73 16.47 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.962 -176.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.5 t -93.47 165.05 12.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.422 -178.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -59.19 -55.07 39.65 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 122.401 0.28 . . . . 0.0 111.154 -178.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.479 ' HG2' HG11 ' A' ' 68' ' ' VAL . 76.5 mtt180 -62.56 -36.78 83.74 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.382 -179.423 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -67.99 -40.67 83.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.207 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.07 -48.25 81.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.83 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.616 ' O ' HD13 ' A' ' 58' ' ' LEU . 28.1 mt -61.75 -44.34 97.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.68 0.276 . . . . 0.0 110.736 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.23 -45.98 97.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.241 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.633 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.0 ppt_? -75.05 -40.11 60.56 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.649 -176.209 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.12 -53.75 54.8 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.638 0.256 . . . . 0.0 111.385 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.616 HD13 ' O ' ' A' ' 54' ' ' LEU . 9.2 mp -59.14 -35.49 73.58 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-O 120.651 0.262 . . . . 0.0 111.12 176.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -61.84 -33.75 74.73 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.724 0.297 . . . . 0.0 111.065 176.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.633 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 29.1 mt-10 -87.71 -41.04 13.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.896 0.379 . . . . 0.0 111.002 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.5 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 81.8 mm-40 -87.88 -49.7 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -176.15 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.681 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 65.2 mt -99.85 3.78 44.83 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.815 -173.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.32 25.47 26.43 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 121.203 -0.522 . . . . 0.0 114.383 -175.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.561 HG12 ' HB2' ' A' ' 62' ' ' LEU . 42.8 pt -119.23 144.47 27.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 117.763 0.781 . . . . 0.0 111.763 -178.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -100.81 101.15 11.93 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.482 174.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.577 ' HA ' ' HA ' ' A' ' 94' ' ' PHE . . . -96.44 157.92 15.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.595 -170.218 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.5 m -110.44 111.0 21.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.293 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.54 ' HA ' ' CE2' ' A' ' 89' ' ' TRP . 33.9 t -84.84 140.17 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 -175.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.15 -73.51 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.775 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -92.54 121.55 34.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.366 0.603 . . . . 0.0 112.28 -172.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 89' ' ' TRP . 58.2 m-85 -92.57 146.44 23.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.714 177.442 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.0 t -93.59 -68.46 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.945 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.1 176.48 9.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.745 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.9 m -142.5 143.68 32.65 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -137.43 137.86 39.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.536 -173.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -110.0 145.52 36.85 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.427 0.632 . . . . 0.0 111.262 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.576 ' HG3' HG13 ' A' ' 84' ' ' ILE . 35.3 ptt180 -155.69 175.35 14.03 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 176.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -120.02 150.95 39.73 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.461 -0.895 . . . . 0.0 111.891 177.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.633 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.6 p -122.05 96.19 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 171.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.9 p 46.52 71.02 0.33 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.955 -175.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.31 -23.03 6.54 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.761 -0.733 . . . . 0.0 114.466 175.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -95.51 137.25 34.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.516 0.658 . . . . 0.0 110.334 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' A' ' 8' ' ' MET . 2.1 mp -94.54 116.68 36.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.944 0.402 . . . . 0.0 110.593 -174.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.81 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -92.24 135.81 26.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.262 0.553 . . . . 0.0 110.712 178.381 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -117.89 102.14 8.85 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.622 -176.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.59 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.5 mp -93.92 130.52 39.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.837 0.351 . . . . 0.0 111.153 -176.117 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -111.58 114.73 27.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.455 177.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -91.56 118.42 30.59 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.698 0.285 . . . . 0.0 110.536 178.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.574 ' HH2' ' HB1' ' A' ' 66' ' ' ALA . 4.2 t90 -113.73 132.83 55.67 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.722 -178.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.55 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 13.7 t-80 -87.63 125.78 34.57 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 176.377 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.75 HG21 HD13 ' A' ' 16' ' ' ILE . 24.1 t -87.28 107.87 16.79 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-O 120.825 0.345 . . . . 0.0 110.274 -174.329 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.55 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 91.0 Cg_endo -82.32 -21.02 5.65 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.693 2.262 . . . . 0.0 111.816 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -158.19 137.68 11.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.536 -176.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.577 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 28.9 p90 -149.99 140.08 22.07 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.826 177.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -113.33 138.5 49.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.535 -177.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.44 -161.65 13.26 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 -177.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.8 m -123.96 129.0 50.24 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 117.101 0.451 . . . . 0.0 109.912 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.523 ' H ' ' HG ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -78.89 122.43 26.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.571 0.7 . . . . 0.0 111.077 -175.192 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.681 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.6 pt20 -134.95 168.67 18.66 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.515 -1.221 . . . . 0.0 108.899 -177.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -107.93 123.56 48.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.896 0.379 . . . . 0.0 111.65 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.5 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 19.9 t-80 -95.55 -70.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.267 176.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -80.41 -34.54 36.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.452 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -81.44 166.47 20.34 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -83.0 -68.81 0.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.843 0.354 . . . . 0.0 111.546 -174.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -136.65 166.28 23.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.632 -176.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.405 HD12 HD21 ' A' ' 23' ' ' LEU . 1.5 mm? -116.13 140.12 49.62 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.8 p -130.62 139.18 51.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 173.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -101.14 114.43 28.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.157 175.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.495 ' SG ' HD13 ' A' ' 24' ' ' LEU . 25.2 p -135.6 152.45 51.26 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.119 177.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.528 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 15.1 m -71.88 161.88 76.35 Favored Pre-proline 0 C--N 1.319 -0.717 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.33 -176.048 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 110' ' ' SER . 5.1 Cg_endo -47.35 -53.26 6.66 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.234 2.623 . . . . 0.0 113.852 -176.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.464 ' CD ' ' H ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -69.37 -24.22 63.85 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.288 -177.372 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.462 ' O ' ' HD1' ' A' ' 117' ' ' TYR . 52.1 mm-40 -72.15 -42.92 65.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.739 174.321 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.05 81.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.18 -173.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.658 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -76.39 -7.98 56.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.991 0.424 . . . . 0.0 110.765 -176.873 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -93.47 -1.7 55.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.089 0.471 . . . . 0.0 110.194 173.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.462 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 34.2 m-85 -94.71 158.85 34.62 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.607 176.288 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.497 ' HB2' HD23 ' A' ' 36' ' ' LEU . 57.0 Cg_endo -71.65 76.01 1.99 Allowed 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.187 1.925 . . . . 0.0 112.125 178.131 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.473 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 70.5 mt -81.34 152.72 27.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.12 176.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.51 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -62.44 153.5 76.44 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.316 176.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -56.87 -19.16 30.51 Favored 'Trans proline' 0 CA--C 1.534 0.522 0 C-N-CA 123.004 2.469 . . . . 0.0 113.676 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.456 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -90.39 -23.91 20.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.714 0.293 . . . . 0.0 110.878 178.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.51 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.1 m-20 -81.59 -22.59 37.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.576 -175.232 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.456 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 48.2 mm -61.86 -59.58 12.81 Favored Pre-proline 0 CA--C 1.537 0.475 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.066 -177.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.456 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 19.7 Cg_endo -59.67 -25.69 79.81 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.455 2.103 . . . . 0.0 112.677 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 91.3 mt -76.15 -45.8 31.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.833 0.349 . . . . 0.0 110.297 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.658 ' HB3' HD23 ' A' ' 115' ' ' LEU . 2.9 tm? -71.42 -35.62 71.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.776 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -49.99 -47.8 52.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 175.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.504 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -79.8 -15.21 57.88 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.728 -178.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.423 ' HB3' HD22 ' A' ' 127' ' ' LEU . 55.9 t80 -76.25 -47.85 22.36 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.6 ptm -67.78 -35.78 79.28 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.676 175.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.504 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -57.48 -43.88 84.44 Favored 'General case' 0 C--N 1.338 0.101 0 CA-C-O 120.93 0.395 . . . . 0.0 111.148 170.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 129' ' ' ALA . 1.1 tp -66.24 -32.48 73.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.211 -176.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -85.5 -18.61 32.98 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.644 -0.423 . . . . 0.0 111.643 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.16 -39.14 12.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.977 0.418 . . . . 0.0 110.706 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.097 177.946 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.414 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 62.4 mtt -109.06 139.52 43.84 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.731 0.777 . . . . 0.0 112.286 -172.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.757 ' HB ' HG23 ' A' ' 84' ' ' ILE . 24.1 mt -108.5 116.69 52.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 114.268 -1.333 . . . . 0.0 107.729 173.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -94.37 123.77 37.98 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 -171.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.63 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 97.1 t -132.08 123.64 51.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.206 0.527 . . . . 0.0 109.758 -178.71 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.474 ' HB ' HD21 ' A' ' 54' ' ' LEU . 3.9 m -99.11 133.95 39.89 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.953 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 88' ' ' ALA . . . -119.54 131.46 55.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.138 0.494 . . . . 0.0 110.816 -174.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.499 ' HA ' ' CD1' ' A' ' 89' ' ' TRP . . . -102.54 121.1 41.69 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.163 -176.249 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.5 HG23 HG23 ' A' ' 22' ' ' ILE . 5.4 mt -98.24 100.41 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.779 HD13 HG21 ' A' ' 91' ' ' VAL . 1.2 mm -83.47 101.99 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 -178.037 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . 4.5 tm-20 -112.84 121.02 43.45 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -176.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.71 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -147.51 137.12 22.72 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 175.69 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 65.04 19.78 11.91 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.395 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.45 9.33 79.33 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.864 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -121.15 145.27 47.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.916 0.388 . . . . 0.0 110.559 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.5 HG23 HG23 ' A' ' 15' ' ' ILE . 26.4 mt -105.25 149.64 8.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.26 -178.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.744 HD23 HG13 ' A' ' 16' ' ' ILE . 57.2 tp -88.31 118.06 27.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.072 0.463 . . . . 0.0 111.2 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.411 HD13 ' SG ' ' A' ' 109' ' ' CYS . 6.6 mp -112.7 139.02 48.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.686 176.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.487 ' HB1' ' CB ' ' A' ' 103' ' ' HIS . . . -119.98 120.03 35.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.96 0.41 . . . . 0.0 111.137 -178.522 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.406 ' HB3' ' H ' ' A' ' 105' ' ' ALA . 19.9 tt0 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.825 -176.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.757 0 N-CA-C 112.296 -0.322 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.488 ' HA ' ' HG2' ' A' ' 118' ' ' PRO . 5.2 mp -76.55 148.21 37.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.975 0.417 . . . . 0.0 111.314 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.486 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 48.2 m95 -115.64 149.55 38.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.916 -177.392 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -142.67 165.23 27.97 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.482 ' HE1' HG21 ' A' ' 22' ' ' ILE . 97.0 m-85 -79.36 147.37 32.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.91 0.386 . . . . 0.0 109.986 176.486 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.433 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -73.08 162.7 29.14 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.569 -178.316 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.12 -139.83 7.32 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.482 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.94 173.8 38.98 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.178 -1.011 . . . . 0.0 113.361 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.413 ' HZ3' ' HB3' ' A' ' 43' ' ' LYS . 3.7 ttpm? -81.14 149.54 29.09 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.383 -0.408 . . . . 0.0 110.001 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.9 t -100.41 119.93 49.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.565 -177.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -73.8 145.63 84.43 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.09 0.03 3.63 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.793 2.329 . . . . 0.0 113.483 -175.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -111.55 -1.07 15.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.259 0.552 . . . . 0.0 111.271 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -119.33 162.17 19.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.631 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 t -93.97 165.62 12.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.348 -178.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -61.52 -53.5 55.59 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.483 0.182 . . . . 0.0 111.036 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.419 ' O ' HG23 ' A' ' 55' ' ' VAL . 92.4 mtt180 -58.89 -38.69 79.42 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.391 0.615 . . . . 0.0 109.99 177.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -68.31 -42.76 78.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.463 -175.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.89 97.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.337 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.73 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 26.1 mt -60.37 -49.11 78.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 0.0 110.613 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 51' ' ' ARG . 61.0 t -60.54 -44.68 97.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.429 -176.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.602 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.7 ppt_? -75.14 -41.84 57.48 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.963 -177.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.69 -40.97 96.88 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 111.469 0.174 . . . . 0.0 111.469 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.73 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 52.9 mt -69.46 -31.08 69.16 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.525 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 59' ' ' ARG . 19.8 ttt85 -64.16 -35.23 80.09 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.7 174.17 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 35.8 mt-10 -81.23 -41.19 22.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -177.511 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.561 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 71.9 mm-40 -90.45 -46.73 8.16 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -177.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.651 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 58.9 mt -103.32 1.17 32.43 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -173.189 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 47.65 33.73 9.38 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 115.045 0.778 . . . . 0.0 115.045 -173.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.442 HG12 ' HB2' ' A' ' 62' ' ' LEU . 31.4 pt -123.72 146.37 29.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 118.304 1.052 . . . . 0.0 111.88 178.47 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.593 ' HB2' ' HB2' ' A' ' 95' ' ' HIS . 44.1 mt-10 -93.71 98.63 11.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.112 176.28 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.72 150.21 24.33 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.135 0.493 . . . . 0.0 111.936 -173.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.3 m -113.02 106.86 15.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.327 174.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.821 ' HA ' ' CZ3' ' A' ' 89' ' ' TRP . 23.2 t -86.86 130.85 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.048 -174.37 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.427 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . -177.48 62.65 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.021 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 70' ' ' GLU . 9.8 pt-20 151.24 111.24 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.808 1.243 . . . . 0.0 109.65 -175.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -99.4 149.17 23.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.752 -0.593 . . . . 0.0 110.964 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.9 t -96.09 -70.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.791 0.329 . . . . 0.0 111.443 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.47 178.09 10.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.027 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.0 m -135.61 149.99 49.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.872 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -145.26 146.9 31.87 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 177.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -117.91 143.6 46.19 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.444 0.64 . . . . 0.0 111.604 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.613 ' HD3' ' HB2' ' A' ' 122' ' ' ALA . 18.3 ptt180 -146.11 159.99 42.53 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 176.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -107.26 147.64 29.96 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 119.044 -1.063 . . . . 0.0 111.505 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.621 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.7 p -120.34 93.87 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 115.166 -0.924 . . . . 0.0 108.568 171.286 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.2 t 47.6 74.31 0.17 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.567 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.03 -8.68 29.34 Favored Glycine 0 CA--C 1.523 0.574 0 C-N-CA 120.984 -0.627 . . . . 0.0 114.657 175.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -110.51 140.27 44.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 117.564 0.682 . . . . 0.0 109.804 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 8' ' ' MET . 1.8 mp -99.11 116.39 42.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 120.912 0.387 . . . . 0.0 110.229 -175.135 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.757 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -87.12 129.56 38.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.157 0.503 . . . . 0.0 109.903 175.932 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -108.62 101.86 10.97 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.242 -175.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.63 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 8.3 mp -94.78 123.71 38.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.699 0.285 . . . . 0.0 110.691 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -115.24 113.18 23.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.091 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 13' ' ' ALA . . . -89.92 144.71 25.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.931 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.821 ' CZ3' ' HA ' ' A' ' 68' ' ' VAL . 9.7 p-90 -139.31 150.8 45.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.716 176.148 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.515 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 44.1 t-80 -90.07 133.25 34.96 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 176.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.779 HG21 HD13 ' A' ' 16' ' ' ILE . 31.5 t -89.38 107.31 17.51 Favored Pre-proline 0 C--N 1.32 -0.711 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -177.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.515 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 73.9 Cg_endo -78.73 -28.65 4.03 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.512 2.141 . . . . 0.0 111.811 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -153.18 138.55 17.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.771 -177.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -148.7 136.43 20.62 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.776 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.593 ' HB2' ' HB2' ' A' ' 65' ' ' GLU . 23.9 m170 -106.93 140.32 39.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.52 -178.305 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.56 -160.53 14.4 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.135 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 56.1 m -125.73 134.04 51.9 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.557 HD13 ' H ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -73.93 123.54 24.46 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.472 0.653 . . . . 0.0 111.189 -175.328 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.651 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 26.2 pt20 -127.4 168.36 14.96 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.563 178.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.633 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -111.15 122.37 47.7 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.802 0.334 . . . . 0.0 111.523 178.511 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.475 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 21.8 t-80 -94.47 -74.41 0.54 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.353 0.597 . . . . 0.0 110.175 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.561 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -76.49 -46.5 26.42 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.642 178.233 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.544 ' O ' ' HB1' ' A' ' 100' ' ' ALA . 66.0 m80 -71.68 151.42 43.66 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.444 -1.253 . . . . 0.0 109.256 -177.624 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -91.86 -66.74 0.9 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.906 0.384 . . . . 0.0 111.197 -174.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.406 ' H ' ' HB3' ' A' ' 26' ' ' GLN . . . -98.71 153.4 18.75 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.068 -176.494 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.655 ' HG ' HD11 ' A' ' 23' ' ' LEU . 1.1 mp -130.82 123.59 29.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.7 p -129.69 144.71 37.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.681 0.277 . . . . 0.0 110.883 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 16.9 m-90 -106.78 116.99 32.88 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 173.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.411 ' SG ' HD13 ' A' ' 24' ' ' LEU . 25.5 p -139.32 155.37 47.75 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.295 177.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.3 m -66.89 158.22 81.3 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.231 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.537 ' O ' HD11 ' A' ' 127' ' ' LEU . 50.5 Cg_exo -46.24 -54.19 5.0 Favored 'Trans proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.177 2.584 . . . . 0.0 113.318 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.543 ' CD ' ' H ' ' A' ' 112' ' ' GLU . 1.5 pm0 -70.44 -28.49 65.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.724 0.297 . . . . 0.0 110.83 -177.159 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -66.8 -42.11 86.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.37 175.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 117' ' ' TYR . . . -60.03 -35.43 75.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.026 -177.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.688 HD11 HG23 ' A' ' 124' ' ' ILE . 0.2 OUTLIER -76.58 -9.22 58.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.895 0.379 . . . . 0.0 110.897 -178.15 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -88.36 -5.22 58.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.01 0.434 . . . . 0.0 110.292 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.408 ' HB2' ' O ' ' A' ' 114' ' ' ALA . 30.4 m-85 -89.83 159.49 43.08 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.66 176.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.488 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 55.6 Cg_endo -73.77 79.09 2.33 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 121.945 1.763 . . . . 0.0 111.658 175.528 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.486 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 75.7 mt -85.28 153.36 22.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.225 178.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.526 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -61.95 155.0 65.62 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.757 177.098 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.438 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 11.6 Cg_endo -55.96 -22.68 39.56 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.373 2.715 . . . . 0.0 114.386 -174.103 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.613 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -98.09 -17.57 19.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.829 0.347 . . . . 0.0 110.671 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.526 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.1 m-20 -81.01 -26.48 36.41 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.386 -176.444 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.688 HG23 HD11 ' A' ' 115' ' ' LEU . 81.1 mt -63.0 -59.72 11.7 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.461 178.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.522 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 10.1 Cg_endo -53.67 -32.25 64.13 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 123.033 2.489 . . . . 0.0 113.042 177.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.402 HD13 ' HB2' ' A' ' 88' ' ' ALA . 84.0 mt -68.6 -41.95 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.028 0.442 . . . . 0.0 110.228 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.549 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.2 tm? -73.49 -36.23 65.75 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.734 -179.046 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 33.5 mt-10 -54.2 -42.24 69.53 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.741 0.305 . . . . 0.0 110.621 177.336 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -81.69 -21.0 38.32 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.779 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -71.59 -45.52 61.93 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -69.34 -31.66 70.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.726 175.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -63.35 -42.24 98.89 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-O 120.931 0.396 . . . . 0.0 111.15 172.575 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.49 -34.26 75.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 -176.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -81.48 -16.82 50.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.101 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -88.1 -35.21 17.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.01 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.427 179.757 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' HA3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.784 0 N-CA-C 112.105 -0.398 . . . . 0.0 112.105 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.411 ' HD3' ' HA3' ' A' ' 1' ' ' GLY . 2.7 Cg_endo -81.55 108.46 1.93 Allowed 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 123.066 2.511 . . . . 0.0 112.557 178.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 mp -102.14 -65.78 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 175.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.3 -1.45 81.13 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.314 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 m -76.89 -11.08 59.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.324 0.583 . . . . 0.0 109.973 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 61.8 mtt -117.21 148.73 41.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.234 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -119.31 141.22 49.19 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.421 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 62.6 mtm -96.63 141.5 29.81 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 121.638 0.732 . . . . 0.0 111.236 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.72 ' HB ' HG23 ' A' ' 84' ' ' ILE . 26.7 mt -105.46 109.86 29.18 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 114.449 -1.251 . . . . 0.0 107.947 174.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -90.4 127.61 36.25 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 -172.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.62 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 61.7 t -133.37 130.26 57.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 m -107.76 134.74 48.63 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-O 120.892 0.377 . . . . 0.0 110.197 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.25 132.82 56.54 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.616 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.58 121.16 41.82 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.137 0.494 . . . . 0.0 110.441 -175.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.503 HG23 HG23 ' A' ' 22' ' ' ILE . 5.1 mt -95.1 100.13 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.005 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 175.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.51 HD12 HD23 ' A' ' 23' ' ' LEU . 37.3 mt -93.54 101.6 12.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -176.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.578 ' HB3' ' HE2' ' A' ' 90' ' ' HIS . 34.6 tt0 -105.41 108.09 19.42 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.079 -172.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.417 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 13.1 tpt85 -126.47 131.15 51.72 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 72.6 2.33 4.31 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.815 0.697 . . . . 0.0 111.394 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.26 -0.48 37.8 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.388 -0.91 . . . . 0.0 111.208 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.559 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 22.2 mttp -114.96 155.56 26.68 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 120.681 0.277 . . . . 0.0 110.499 -176.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.503 HG23 HG23 ' A' ' 15' ' ' ILE . 15.6 mt -104.7 148.01 9.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.039 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.51 HD23 HD12 ' A' ' 16' ' ' ILE . 36.5 tp -87.19 121.49 29.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.101 0.477 . . . . 0.0 111.009 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.463 HD13 ' SG ' ' A' ' 109' ' ' CYS . 7.4 mp -115.62 136.26 53.24 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.14 177.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.11 123.14 43.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.056 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 37' ' ' TRP . 25.0 tt0 -70.26 119.28 14.21 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.783 -178.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.533 ' NH1' ' HB3' ' A' ' 102' ' ' GLU . 15.7 tpt180 -170.89 118.79 0.48 Allowed Pre-proline 0 N--CA 1.463 0.207 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.619 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -97.22 -153.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 122.675 2.25 . . . . 0.0 111.421 170.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -116.87 -83.95 0.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.858 0.361 . . . . 0.0 110.801 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -113.13 11.37 18.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.153 0.501 . . . . 0.0 109.955 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 m -73.5 129.98 39.13 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.192 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -80.58 -2.39 46.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.53 0.681 . . . . 0.0 110.061 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -105.44 166.69 10.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.84 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.83 -176.68 3.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.311 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.48 -29.67 7.43 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.454 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.416 HD23 ' HB2' ' A' ' 118' ' ' PRO . 1.7 mp -77.0 120.81 22.63 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.186 0.517 . . . . 0.0 111.794 175.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.48 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 16.8 m0 -97.88 155.93 16.83 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.482 177.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -131.3 164.77 24.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.772 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.449 ' HD2' HG12 ' A' ' 15' ' ' ILE . 4.5 m-85 -88.67 117.81 27.89 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.41 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -56.81 150.23 16.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.804 -174.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.3 -133.64 2.98 Favored Glycine 0 N--CA 1.443 -0.879 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -176.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.53 173.53 33.27 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.038 -1.077 . . . . 0.0 113.387 178.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -77.86 145.61 36.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.828 0.347 . . . . 0.0 110.46 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.3 t -100.53 121.24 51.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.061 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -80.05 139.43 53.15 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 171.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.5 -29.85 71.15 Favored 'Trans proline' 0 CA--C 1.529 0.255 0 C-N-CA 122.691 2.261 . . . . 0.0 112.706 -175.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -84.48 -3.11 58.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.798 -177.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -116.54 161.84 18.51 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.441 ' HB3' ' HB3' ' A' ' 52' ' ' GLN . 33.5 t -86.59 154.93 20.68 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 -177.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -62.79 -42.51 99.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.51 0.195 . . . . 0.0 110.999 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.482 ' O ' HG23 ' A' ' 55' ' ' VAL . 77.9 mtt180 -67.76 -39.45 84.14 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 175.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.441 ' HB3' ' HB3' ' A' ' 49' ' ' SER . 31.4 tt0 -66.43 -38.29 87.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.995 -175.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.97 79.39 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.28 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.708 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 24.7 mt -59.42 -46.99 87.16 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.904 0.383 . . . . 0.0 110.697 178.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 51' ' ' ARG . 70.7 t -58.44 -46.83 89.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.017 -177.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.587 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.5 ppt_? -76.74 -40.85 47.1 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.236 -177.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.82 -44.25 94.11 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.556 0.217 . . . . 0.0 111.178 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 44.4 mt -69.14 -31.86 70.83 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 120.538 -0.465 . . . . 0.0 109.884 178.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 59' ' ' ARG . 20.3 ttt180 -64.98 -36.18 83.56 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.778 0.323 . . . . 0.0 110.987 175.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.587 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 28.4 mt-10 -83.47 -41.31 18.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.203 -178.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.616 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 69.3 mm-40 -88.93 -45.91 9.31 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.706 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 65.3 mt -102.34 4.67 39.27 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.781 -172.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.57 27.98 20.22 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 114.81 0.684 . . . . 0.0 114.81 -176.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.4 pt -127.09 142.85 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 118.204 1.002 . . . . 0.0 112.054 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.568 ' HB2' ' HB2' ' A' ' 95' ' ' HIS . 41.3 mt-10 -91.92 97.84 11.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.796 175.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 94' ' ' PHE . . . -84.99 153.31 22.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.278 0.561 . . . . 0.0 111.956 -173.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.59 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 44.7 m -110.98 107.4 16.81 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.254 176.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.401 HG11 ' HG2' ' A' ' 51' ' ' ARG . 36.3 t -80.48 136.07 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.319 -177.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -141.52 -85.23 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.055 -1.069 . . . . 0.0 113.431 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.599 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 10.2 pt-20 -85.05 126.63 33.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.374 0.607 . . . . 0.0 111.302 -172.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -79.64 132.75 36.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.249 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.553 ' HB ' ' O ' ' A' ' 88' ' ' ALA . 90.2 t -92.1 -68.6 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.72 0.295 . . . . 0.0 111.153 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -161.31 163.66 30.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 111.529 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.4 p -123.83 149.09 46.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.043 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -137.75 139.55 40.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.355 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -115.95 137.83 51.75 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.113 0.483 . . . . 0.0 111.217 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.698 ' HG3' HG13 ' A' ' 84' ' ' ILE . 31.9 ptt180 -147.71 173.42 12.79 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -120.4 149.84 41.72 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 119.724 -0.79 . . . . 0.0 111.254 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.605 HG11 HD12 ' A' ' 9' ' ' ILE . 2.5 p -125.63 96.32 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 173.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.6 p 41.74 70.39 0.28 Allowed 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.119 -173.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.79 -22.86 10.08 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 120.756 -0.735 . . . . 0.0 114.517 176.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.51 ' HB2' HG13 ' A' ' 79' ' ' VAL . 99.1 mtt180 -96.65 136.85 36.61 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 117.735 0.767 . . . . 0.0 110.493 -177.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 8' ' ' MET . 2.0 mp -93.63 114.96 31.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 120.861 0.362 . . . . 0.0 110.789 -175.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.72 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -87.53 132.62 32.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.32 0.581 . . . . 0.0 110.025 176.592 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -117.43 97.83 6.09 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.689 -173.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.62 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.7 mp -95.13 135.98 36.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.843 0.354 . . . . 0.0 111.436 -175.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -118.72 114.38 22.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.073 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.553 ' O ' ' HB ' ' A' ' 72' ' ' VAL . . . -93.12 107.46 19.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 51.2 m0 -115.18 143.71 44.8 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.149 0.499 . . . . 0.0 110.718 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.599 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 46.9 t-80 -92.49 115.84 28.45 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.294 -176.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.478 HG21 HG12 ' A' ' 16' ' ' ILE . 11.8 m -91.71 105.48 13.46 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.75 175.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.59 ' HD2' ' O ' ' A' ' 67' ' ' THR . 73.5 Cg_endo -78.17 -2.28 12.38 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.613 2.209 . . . . 0.0 112.649 -176.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.521 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 26.9 t70 -154.5 143.55 21.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.754 -177.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 36.1 p90 -146.45 136.2 23.23 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.992 175.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.568 ' HB2' ' HB2' ' A' ' 65' ' ' GLU . 30.0 m170 -100.55 120.81 40.58 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.147 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 123.15 -160.86 17.61 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.871 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 55.7 m -130.09 135.14 47.9 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.599 HD13 ' H ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -72.52 125.18 26.81 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.489 0.662 . . . . 0.0 111.289 -170.682 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.706 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.8 pt20 -130.55 157.46 42.64 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.068 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.662 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -109.42 106.39 16.14 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.563 -178.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -80.14 -74.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.068 0.461 . . . . 0.0 110.751 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.616 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 13.8 mt-10 -91.48 25.74 2.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.176 0.513 . . . . 0.0 110.98 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -133.5 147.8 51.66 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -82.89 -61.86 1.75 Allowed 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 121.162 -0.215 . . . . 0.0 111.543 -174.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.458 ' H ' ' HB3' ' A' ' 26' ' ' GLN . . . -119.3 154.16 33.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.847 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.662 HD13 ' HB2' ' A' ' 100' ' ' ALA . 1.3 tp -127.84 126.21 41.19 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.8 p -136.53 144.63 32.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.15 0.5 . . . . 0.0 111.883 -175.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -104.58 118.02 35.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.036 173.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.463 ' SG ' HD13 ' A' ' 24' ' ' LEU . 25.9 p -137.3 155.72 49.11 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.287 176.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.481 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 20.1 m -69.32 156.58 91.34 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.124 -177.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.562 ' O ' HD11 ' A' ' 127' ' ' LEU . 8.1 Cg_endo -51.21 -49.49 16.94 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.86 2.373 . . . . 0.0 112.771 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -63.42 -36.38 83.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.866 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.481 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 7.7 mm-40 -68.56 -41.14 80.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.408 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.72 -41.35 90.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.207 -174.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.579 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -73.13 -7.65 52.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.844 0.354 . . . . 0.0 111.391 -174.865 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -90.73 -0.29 57.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.066 0.46 . . . . 0.0 110.524 176.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.476 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 45.2 m-85 -106.25 164.33 15.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.952 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.476 ' HD2' ' HB3' ' A' ' 117' ' ' TYR . 49.3 Cg_endo -71.81 72.77 2.51 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.532 2.154 . . . . 0.0 112.345 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.44 HD21 HD23 ' A' ' 24' ' ' LEU . 67.9 mt -81.25 153.56 27.06 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.003 175.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.534 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -59.99 149.2 74.84 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.517 0.198 . . . . 0.0 110.522 176.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.98 -20.86 31.55 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.326 2.684 . . . . 0.0 113.932 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -89.98 -25.37 20.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 0.0 111.131 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.534 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.3 m-20 -79.32 -23.91 43.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.507 -175.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.518 HG23 HD11 ' A' ' 115' ' ' LEU . 74.4 mt -61.84 -58.73 16.23 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.161 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.441 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 17.7 Cg_endo -58.53 -26.87 80.33 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 122.547 2.165 . . . . 0.0 112.685 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.431 HD13 ' HB2' ' A' ' 88' ' ' ALA . 86.7 mt -75.7 -44.85 40.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.212 -178.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.579 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.3 tm? -70.15 -37.6 75.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.909 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -48.99 -46.27 43.55 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 176.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.435 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -80.88 -18.28 47.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.737 -177.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.407 ' HB2' HG11 ' A' ' 72' ' ' VAL . 92.8 t80 -73.38 -47.76 39.48 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -68.46 -32.53 72.61 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.528 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -57.49 -41.33 80.5 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.978 0.418 . . . . 0.0 110.839 171.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.9 mp -64.98 -36.56 84.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.035 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -80.3 -27.85 38.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -92.86 -40.18 10.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.817 0.342 . . . . 0.0 111.652 -174.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -87.56 -36.06 17.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.866 0.365 . . . . 0.0 110.113 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.609 ' HA ' ' HE ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER 63.74 104.16 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.216 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.231 179.683 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -67.69 -7.14 18.53 Favored 'Trans proline' 0 N--CA 1.473 0.273 0 C-N-CA 123.173 2.582 . . . . 0.0 112.65 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -97.53 73.83 2.41 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.22 177.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 29.4 t70 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.616 -0.707 . . . . 0.0 109.944 -179.879 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.6 0 N-CA-C 112.097 -0.401 . . . . 0.0 112.097 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.31 -34.25 45.28 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.855 2.37 . . . . 0.0 111.571 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.774 ' H ' HD23 ' A' ' 3' ' ' LEU . 2.4 pt? -105.45 162.2 13.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.429 175.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.39 71.98 2.83 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.822 -0.704 . . . . 0.0 113.07 -175.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 t -80.07 113.98 18.64 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 173.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.543 ' HB2' HD13 ' A' ' 83' ' ' ILE . 22.2 ptp -78.05 126.63 31.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.545 0.688 . . . . 0.0 111.53 -171.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -101.34 140.83 35.1 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.344 -0.844 . . . . 0.0 108.95 173.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.42 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 84.5 mtp -101.79 136.53 41.47 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.698 0.761 . . . . 0.0 111.537 -177.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.721 ' HB ' HG23 ' A' ' 84' ' ' ILE . 53.8 mt -113.13 117.38 55.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 114.447 -1.251 . . . . 0.0 109.385 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -98.05 124.12 42.4 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -178.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.602 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 93.2 t -126.48 128.92 71.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 m -106.77 135.51 44.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-O 121.052 0.453 . . . . 0.0 110.563 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.54 129.7 56.33 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.058 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.601 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.14 111.8 24.22 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.063 0.459 . . . . 0.0 110.039 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.48 HG23 HG23 ' A' ' 22' ' ' ILE . 7.2 mt -94.88 100.09 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 177.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.496 HD12 HD23 ' A' ' 23' ' ' LEU . 35.1 mt -91.83 106.31 17.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.409 -179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.637 ' HB3' ' HE2' ' A' ' 90' ' ' HIS . 17.2 tt0 -112.25 124.27 52.09 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.125 -176.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.833 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -139.82 130.05 25.22 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.25 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 68.09 17.12 9.49 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.704 0.627 . . . . 0.0 111.332 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.64 10.03 63.81 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.413 -0.899 . . . . 0.0 111.758 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 15.8 mmtp -120.32 142.14 49.39 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -178.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.501 HG21 ' HE1' ' A' ' 39' ' ' PHE . 48.5 mt -103.7 140.13 22.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.0 -178.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.502 HD11 ' HB3' ' A' ' 106' ' ' LEU . 49.6 tp -77.28 116.52 17.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.176 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.583 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 54.6 mt -114.74 131.63 56.71 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.94 175.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.51 ' HB1' ' CB ' ' A' ' 103' ' ' HIS . . . -117.42 125.3 50.72 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.618 -177.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.648 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 8.3 tt0 -73.57 112.12 9.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.29 -178.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.739 ' HB3' ' HD2' ' A' ' 103' ' ' HIS . 2.3 tmm_? 160.54 100.46 0.0 OUTLIER Pre-proline 0 N--CA 1.471 0.586 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.413 ' O ' ' HD2' ' A' ' 27' ' ' ARG . 42.5 Cg_endo -85.12 -154.72 0.05 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.111 1.874 . . . . 0.0 111.29 178.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -145.06 -61.64 0.35 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.489 -0.485 . . . . 0.0 111.896 -176.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -92.23 18.08 8.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.352 0.596 . . . . 0.0 110.702 -176.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 t -145.06 123.91 12.67 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.193 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -93.23 73.25 4.6 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 176.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -138.22 130.51 28.88 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.179 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.66 144.47 26.64 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.562 -177.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.33 -24.25 11.63 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.912 -0.661 . . . . 0.0 113.203 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.58 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 5.9 mp -76.03 147.35 38.8 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.148 0.499 . . . . 0.0 111.984 -177.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.583 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 19.2 m95 -120.42 156.83 30.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.291 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -147.69 170.89 16.57 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.501 ' HE1' HG21 ' A' ' 22' ' ' ILE . 70.5 m-85 -81.08 145.7 30.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 174.137 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.92 160.13 31.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.713 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.76 -135.96 7.88 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.09 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.94 -171.68 35.01 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.839 -178.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 44' ' ' VAL . 53.0 tttm -78.36 155.35 30.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.415 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 59.4 t -106.37 129.35 59.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.424 178.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.468 ' C ' ' H ' ' A' ' 47' ' ' ASP . 36.3 mm-40 -91.49 152.57 43.71 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 174.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -68.26 12.29 0.24 Allowed 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 122.564 2.176 . . . . 0.0 112.39 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.468 ' H ' ' C ' ' A' ' 45' ' ' GLU . 32.3 t70 -105.15 -10.45 17.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.413 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -135.34 169.32 17.66 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.135 -173.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.5 m -91.78 160.0 15.54 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.166 176.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -70.69 -42.67 70.39 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -173.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -69.64 -31.74 70.0 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -65.06 -40.51 94.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.802 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.95 97.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.886 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.656 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 42.9 mt -62.97 -47.8 81.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.827 0.346 . . . . 0.0 110.8 178.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.96 -45.41 95.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.268 -177.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.591 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.3 ppt_? -69.41 -41.77 75.96 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.434 -0.507 . . . . 0.0 111.03 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 5.0 mm-40 -61.28 -52.13 66.0 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 178.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 28.0 mt -62.33 -35.49 79.25 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.521 -177.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 59' ' ' ARG . 16.4 ttt180 -59.63 -34.16 72.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.96 0.409 . . . . 0.0 110.914 174.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.591 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 21.0 mt-10 -87.26 -40.49 14.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.605 -177.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.633 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 4.8 pt-20 -92.77 -42.65 9.45 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -177.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.672 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 60.4 mt -101.55 2.86 39.51 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.459 -173.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.37 26.53 30.17 Favored Glycine 0 CA--C 1.522 0.484 0 C-N-CA 121.166 -0.54 . . . . 0.0 114.054 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.3 pt -125.32 142.18 42.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.652 0.739 . . . . 0.0 112.022 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -93.45 93.3 8.06 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.633 -1.167 . . . . 0.0 108.66 176.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.457 ' HA ' ' HA ' ' A' ' 94' ' ' PHE . . . -85.61 157.45 20.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.891 -172.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.545 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 28.3 m -117.78 104.88 11.4 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.387 175.125 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.4 t -80.83 121.33 34.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.171 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.496 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . -169.11 68.4 0.16 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 119.864 -1.16 . . . . 0.0 113.834 -174.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.569 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 14.0 pt-20 159.52 142.92 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.224 1.01 . . . . 0.0 109.406 175.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.425 ' HD1' ' NE1' ' A' ' 89' ' ' TRP . 8.5 t80 -104.83 126.51 51.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.571 -170.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.476 ' HA ' ' CD2' ' A' ' 133' ' ' LEU . 89.6 t -96.02 -70.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.952 175.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -162.1 177.16 9.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.036 0.446 . . . . 0.0 111.64 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.1 p -143.86 147.57 34.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.104 175.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -132.53 135.07 45.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.268 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -105.2 139.23 40.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.066 0.46 . . . . 0.0 110.228 173.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.495 ' HG3' HG13 ' A' ' 84' ' ' ILE . 21.6 ptt85 -152.82 174.9 13.49 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 174.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -120.66 150.52 40.8 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 119.773 -0.771 . . . . 0.0 111.075 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.644 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.3 p -116.94 93.28 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 171.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.4 m 41.77 71.69 0.2 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.196 -177.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.29 -24.02 18.62 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 114.755 0.662 . . . . 0.0 114.755 176.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.507 ' HB2' HG13 ' A' ' 79' ' ' VAL . 52.8 mtt180 -97.57 138.42 35.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.013 0.906 . . . . 0.0 110.262 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.543 HD13 ' HB2' ' A' ' 6' ' ' MET . 1.9 mp -94.78 116.78 36.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.008 0.432 . . . . 0.0 111.044 -176.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.721 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -93.14 137.2 23.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.969 178.556 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -123.04 98.02 5.7 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.143 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.602 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 5.5 mp -90.94 135.74 33.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.869 0.366 . . . . 0.0 111.53 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -114.14 119.34 36.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.103 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -99.22 108.92 21.62 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.002 0.43 . . . . 0.0 110.614 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.533 ' HD1' ' O ' ' A' ' 70' ' ' GLU . 2.0 m-90 -106.25 149.87 26.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.383 176.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.637 ' HE2' ' HB3' ' A' ' 17' ' ' GLU . 50.5 t-80 -95.52 130.12 42.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.407 ' HB ' ' HA ' ' A' ' 16' ' ' ILE . 58.3 t -90.7 104.15 8.55 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.576 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 84.4 Cg_endo -80.74 -24.49 4.97 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.829 2.353 . . . . 0.0 112.58 -178.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -148.35 138.9 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.599 -175.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.476 ' HE1' ' HD2' ' A' ' 18' ' ' ARG . 45.3 p90 -146.99 136.92 23.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.194 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -107.4 120.5 42.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.923 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 128.97 -161.66 22.52 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.881 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.6 m -119.47 120.34 36.53 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.816 HD23 ' H ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -72.68 116.58 13.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.716 -175.17 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.672 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 8.9 pt20 -133.11 171.0 14.58 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.541 -1.208 . . . . 0.0 109.474 -174.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.495 ' HB1' ' O ' ' A' ' 103' ' ' HIS . . . -109.81 115.38 29.73 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.905 0.384 . . . . 0.0 110.821 178.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.633 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 16.4 t-80 -105.9 -55.73 2.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.44 178.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -91.51 -38.73 12.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.235 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.739 ' HD2' ' HB3' ' A' ' 27' ' ' ARG . 46.7 m80 -79.87 160.65 25.97 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -83.17 -52.02 6.98 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -173.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -147.2 165.78 29.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.86 -0.154 . . . . 0.0 110.614 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.502 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.8 mm? -117.47 140.97 48.91 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 123.186 0.304 . . . . 0.0 110.182 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.9 p -128.96 134.24 64.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 169.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.585 ' HE1' HD11 ' A' ' 98' ' ' LEU . 25.1 m-90 -100.5 113.42 26.2 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 176.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 12.4 p -136.4 152.66 50.86 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.486 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.423 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 3.1 m -65.7 160.95 57.29 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.039 -178.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.56 ' O ' HD11 ' A' ' 127' ' ' LEU . 5.6 Cg_endo -49.53 -48.2 19.86 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.786 2.324 . . . . 0.0 112.76 179.133 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.64 -32.52 74.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.763 0.316 . . . . 0.0 111.101 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.452 ' O ' ' HD1' ' A' ' 117' ' ' TYR . 24.1 mm-40 -71.81 -38.25 70.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.836 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.56 -39.72 81.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.787 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.598 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -74.63 -14.3 60.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.772 0.32 . . . . 0.0 110.547 -177.632 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -80.09 -13.92 58.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.066 0.46 . . . . 0.0 110.512 175.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.452 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 35.6 m-85 -89.89 159.59 42.67 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.398 -178.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.58 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 41.5 Cg_endo -70.22 82.43 0.85 Allowed 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.279 1.986 . . . . 0.0 111.626 176.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 71.0 mt -91.19 153.01 20.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.191 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.534 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -66.25 156.17 85.75 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.506 177.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.23 -23.57 37.63 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.191 2.594 . . . . 0.0 113.502 -177.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.428 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -87.34 -28.1 22.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.612 0.244 . . . . 0.0 111.115 -179.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.534 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.8 m-20 -78.4 -24.0 46.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.146 0.498 . . . . 0.0 110.501 -175.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.509 ' HB ' ' HD3' ' A' ' 125' ' ' PRO . 79.5 mt -61.3 -60.34 10.82 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.129 -177.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.509 ' HD3' ' HB ' ' A' ' 124' ' ' ILE . 28.4 Cg_endo -63.39 -24.44 71.28 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.536 2.157 . . . . 0.0 112.666 -178.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 93.1 mt -73.65 -43.51 59.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.598 ' HB3' HD23 ' A' ' 115' ' ' LEU . 2.8 tm? -72.28 -37.32 69.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.132 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -51.64 -44.65 63.04 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.818 0.342 . . . . 0.0 110.817 175.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.491 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -80.38 -15.36 57.02 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.542 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.456 ' HB3' HD22 ' A' ' 127' ' ' LEU . 66.2 t80 -76.26 -47.19 24.72 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 177.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 16.1 ptp -65.52 -35.89 82.22 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.138 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.491 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -59.37 -39.82 84.5 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.984 0.421 . . . . 0.0 110.719 171.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.476 ' CD2' ' HA ' ' A' ' 72' ' ' VAL . 0.9 OUTLIER -67.78 -30.09 69.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.972 -178.196 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.517 ' HD3' ' HG3' ' A' ' 111' ' ' PRO . 51.6 mtp85 -86.13 -24.12 26.35 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 177.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -88.63 -39.56 13.97 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.783 -176.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -91.34 -37.94 12.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.964 178.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.48 ' HA ' ' HE ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER 60.07 91.37 0.08 OUTLIER Pre-proline 0 N--CA 1.466 0.371 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.192 177.766 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -62.24 142.19 90.64 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.464 2.109 . . . . 0.0 111.549 173.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.47 -61.8 1.67 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.877 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.499 -0.762 . . . . 0.0 110.067 -178.47 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 112.038 -0.425 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.2 113.41 3.69 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.445 2.097 . . . . 0.0 112.285 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.63 -21.35 65.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.163 177.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.82 78.42 0.42 Allowed Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 176.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 m -92.18 115.69 28.3 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.108 0.48 . . . . 0.0 109.926 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.532 ' HB2' HD13 ' A' ' 83' ' ' ILE . 21.5 ptp -84.57 143.65 29.16 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.375 -174.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -90.96 137.5 32.32 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 173.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 54.5 mtp -104.9 134.13 48.53 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.733 0.778 . . . . 0.0 112.063 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.734 ' HB ' HG23 ' A' ' 84' ' ' ILE . 36.5 mt -115.21 114.7 47.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.163 176.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -94.46 127.13 40.17 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.581 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 90.1 t -132.4 130.08 59.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.462 HG12 ' HB2' ' A' ' 87' ' ' HIS . 1.7 m -106.14 135.9 42.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-O 121.047 0.451 . . . . 0.0 110.27 176.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.7 132.8 56.43 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.637 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.1 123.92 46.8 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.13 0.49 . . . . 0.0 110.275 -176.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.43 HG12 ' HD2' ' A' ' 39' ' ' PHE . 3.8 mt -94.68 99.81 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 176.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.549 HG12 HG21 ' A' ' 91' ' ' VAL . 34.9 mt -94.64 109.77 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.238 -174.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 65.8 tt0 -106.65 134.45 49.78 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.559 -174.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -143.23 120.58 11.6 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 65.99 10.98 7.41 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.437 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.74 2.41 43.05 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.174 -1.012 . . . . 0.0 112.261 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 10.0 mttp -114.81 151.64 33.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.412 ' CG2' HG23 ' A' ' 15' ' ' ILE . 7.1 mt -104.33 147.88 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -178.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.608 HD11 ' HB3' ' A' ' 106' ' ' LEU . 52.5 tp -85.92 117.5 24.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.194 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 mp -109.86 139.16 45.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.088 177.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.94 121.69 39.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.855 0.36 . . . . 0.0 111.5 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -69.58 110.01 4.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.964 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.551 ' HB3' ' CD2' ' A' ' 103' ' ' HIS . 20.9 ttt180 156.47 131.51 0.0 OUTLIER Pre-proline 0 N--CA 1.471 0.59 0 C-N-CA 124.96 1.304 . . . . 0.0 108.596 175.228 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -89.26 -147.24 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 122.449 2.099 . . . . 0.0 110.841 174.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.88 -73.92 0.61 Allowed 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.205 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -115.16 -5.48 12.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.326 . . . . 0.0 111.335 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.419 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . 7.6 m -68.72 139.83 55.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.735 -178.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -86.46 -18.6 31.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.88 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.419 ' HG2' ' HB3' ' A' ' 31' ' ' SER . 9.8 pt20 -65.43 97.56 0.3 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.589 0.709 . . . . 0.0 110.878 178.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.22 156.74 24.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.314 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.61 -19.85 16.0 Favored Glycine 0 CA--C 1.502 -0.728 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.547 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.536 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 6.4 mp -76.82 149.63 36.19 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.954 0.407 . . . . 0.0 110.783 177.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.575 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 56.2 m95 -117.7 154.68 31.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.14 -178.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -154.64 162.66 41.03 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 174.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.43 ' HD2' HG12 ' A' ' 15' ' ' ILE . 9.6 m-30 -80.6 139.06 36.46 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.88 161.61 29.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.945 0.403 . . . . 0.0 111.352 -175.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.02 -133.8 3.1 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.43 176.51 37.02 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.232 -0.985 . . . . 0.0 113.107 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -78.62 148.67 33.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.1 t -100.62 111.42 30.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.869 -178.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -74.12 143.62 80.72 Favored Pre-proline 0 C--N 1.317 -0.838 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.63 -9.1 17.09 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.595 2.197 . . . . 0.0 112.846 -176.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -98.15 -3.07 38.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.113 0.482 . . . . 0.0 110.141 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -127.07 159.26 34.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.527 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 p -96.66 168.09 10.73 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.363 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -60.4 -53.57 56.05 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -172.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.431 ' O ' HG23 ' A' ' 55' ' ' VAL . 81.5 mtt180 -63.22 -34.43 77.63 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.491 0.662 . . . . 0.0 109.607 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -68.73 -42.3 77.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.277 -176.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.5 -45.52 93.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.718 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.662 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 24.1 mt -60.33 -46.71 88.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 110.893 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 51' ' ' ARG . 53.3 t -60.07 -43.42 92.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.3 -177.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.685 ' HD3' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -71.99 -45.12 62.15 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.768 178.492 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.685 ' N ' ' HD3' ' A' ' 56' ' ' ARG . 5.4 mm-40 -61.52 -42.9 99.5 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -176.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 41.7 mt -69.83 -29.57 66.87 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.249 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -68.82 -39.26 80.13 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.714 173.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.636 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 39.6 mt-10 -78.7 -33.5 46.79 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -176.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.524 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 4.1 mt-10 -89.5 -52.18 5.15 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.811 172.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.77 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 23.4 mt -101.05 6.11 43.26 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -166.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 45.05 34.25 4.11 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 114.869 0.707 . . . . 0.0 114.869 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.555 HG12 ' HB2' ' A' ' 62' ' ' LEU . 34.6 pt -123.59 145.12 31.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 117.985 0.892 . . . . 0.0 111.874 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.489 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 34.1 mt-10 -90.25 95.72 10.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.009 174.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.43 ' CB ' HD12 ' A' ' 58' ' ' LEU . . . -87.63 154.63 20.44 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.979 0.419 . . . . 0.0 111.478 -175.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.597 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 64.9 m -116.24 110.21 18.46 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.784 175.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 t -85.71 121.85 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -124.4 -83.72 0.58 Allowed Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.288 -0.958 . . . . 0.0 113.007 -174.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.572 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 15.4 pt-20 -89.17 134.02 34.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.399 0.619 . . . . 0.0 111.643 -173.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.543 ' HB3' ' CZ3' ' A' ' 89' ' ' TRP . 55.1 m-85 -81.15 132.78 35.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.126 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.536 ' HB ' ' O ' ' A' ' 88' ' ' ALA . 86.5 t -94.05 -70.8 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 120.76 0.314 . . . . 0.0 110.898 177.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -163.77 179.79 6.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.471 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.9 m -145.42 151.65 38.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.766 177.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -137.95 147.41 44.27 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -112.45 144.06 42.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.321 0.581 . . . . 0.0 111.693 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.638 ' HG3' HG13 ' A' ' 84' ' ' ILE . 16.4 ptt180 -154.97 173.89 15.92 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 173.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -119.74 151.45 38.75 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 119.562 -0.855 . . . . 0.0 111.067 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.602 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.9 p -122.38 95.1 3.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.343 172.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 p 45.31 67.87 0.66 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.078 -175.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.99 -19.15 23.33 Favored Glycine 0 CA--C 1.522 0.476 0 C-N-CA 121.072 -0.585 . . . . 0.0 114.364 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.478 ' HB2' HG13 ' A' ' 79' ' ' VAL . 63.6 mtt180 -95.75 133.62 39.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.569 0.684 . . . . 0.0 110.108 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.532 HD13 ' HB2' ' A' ' 6' ' ' MET . 1.7 mp -93.87 113.07 27.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-O 121.05 0.452 . . . . 0.0 110.443 -175.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.734 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -90.87 131.25 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.621 178.67 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -116.63 97.28 5.91 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.269 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.581 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.6 mp -89.91 130.36 36.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -176.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.559 ' HB3' ' CZ2' ' A' ' 89' ' ' TRP . 71.8 m-70 -113.87 113.54 25.02 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.809 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.536 ' O ' ' HB ' ' A' ' 72' ' ' VAL . . . -93.77 104.99 17.05 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.166 177.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.559 ' CZ2' ' HB3' ' A' ' 87' ' ' HIS . 2.6 m95 -109.12 142.58 39.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.014 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.572 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 29.3 t-80 -90.87 117.74 29.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.417 -177.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.549 HG21 HG12 ' A' ' 16' ' ' ILE . 14.2 m -95.15 107.06 29.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 174.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.597 ' HD2' ' O ' ' A' ' 67' ' ' THR . 60.1 Cg_endo -71.28 -14.71 31.47 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.728 2.285 . . . . 0.0 112.984 -174.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -158.56 152.55 23.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.098 0.475 . . . . 0.0 111.357 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.441 ' CE2' HD23 ' A' ' 98' ' ' LEU . 41.5 p90 -144.55 140.3 28.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.432 178.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 41.2 t-80 -108.36 124.83 50.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.694 0.283 . . . . 0.0 110.551 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.74 -166.53 17.37 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.472 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.3 m -115.53 117.24 29.8 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.554 HD21 ' HZ2' ' A' ' 108' ' ' TRP . 0.9 OUTLIER -73.72 124.44 26.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.739 0.781 . . . . 0.0 111.049 -173.527 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.77 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 20.0 pt20 -124.89 159.31 31.42 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.71 -1.132 . . . . 0.0 108.69 -177.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' A' ' 103' ' ' HIS . . . -107.02 107.18 18.06 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.533 177.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -89.17 -56.55 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.389 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.524 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 13.9 mt-10 -87.69 -51.52 5.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.706 177.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.551 ' CD2' ' HB3' ' A' ' 27' ' ' ARG . 77.2 m80 -69.81 163.93 24.74 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 177.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -86.6 -63.84 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -173.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -131.7 167.92 18.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.132 -175.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.608 ' HB3' HD11 ' A' ' 23' ' ' LEU . 2.4 mm? -121.77 139.21 53.88 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 -178.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.4 p -135.15 139.58 46.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.886 0.374 . . . . 0.0 110.989 173.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.554 ' HZ2' HD21 ' A' ' 98' ' ' LEU . 97.4 m95 -97.76 117.86 33.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.282 174.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 26.3 p -139.87 155.93 46.97 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 174.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.9 m -72.86 156.54 89.75 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -177.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.517 ' O ' HD11 ' A' ' 127' ' ' LEU . 3.9 Cg_endo -46.52 -49.05 12.51 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.467 2.778 . . . . 0.0 113.395 -177.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -66.4 -35.62 80.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.306 -177.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -70.4 -39.18 74.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.789 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.61 -39.06 72.95 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.123 -176.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.568 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -72.34 -14.2 61.67 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.862 0.363 . . . . 0.0 110.577 -175.158 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -87.18 -7.85 57.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.943 0.401 . . . . 0.0 110.593 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -83.83 160.91 57.31 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 176.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.536 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 50.3 Cg_endo -71.01 75.4 1.74 Allowed 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 121.973 1.782 . . . . 0.0 111.153 175.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.575 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 74.5 mt -80.99 153.45 27.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.697 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.8 148.35 76.19 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.35 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -55.4 -27.33 57.83 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.833 2.355 . . . . 0.0 113.214 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.504 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -92.39 -17.17 24.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.248 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -79.78 -28.79 40.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.338 0.589 . . . . 0.0 110.07 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.549 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 75.8 mt -63.48 -57.63 19.06 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.771 -174.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 18.9 Cg_endo -57.98 -27.15 78.04 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.496 2.131 . . . . 0.0 112.819 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.477 HD11 ' HB3' ' A' ' 86' ' ' LEU . 98.6 mt -73.65 -38.94 64.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.267 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.568 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.2 tm? -76.28 -37.39 57.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.762 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 32.2 mt-10 -56.76 -40.8 76.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.525 0.202 . . . . 0.0 111.081 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.29 -25.58 51.47 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.269 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -67.82 -45.69 74.01 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.7 ptm -70.62 -35.16 72.8 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.014 176.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.57 -50.94 71.98 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.967 0.413 . . . . 0.0 111.558 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.532 ' O ' ' HA ' ' A' ' 137' ' ' ARG . 1.1 mp -65.18 -26.69 68.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.724 -173.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.462 HH11 ' HD2' ' A' ' 134' ' ' ARG . 19.0 mtp180 -92.93 -22.11 19.41 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.685 -177.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.99 -38.1 13.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.991 0.425 . . . . 0.0 110.831 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -93.61 -21.69 19.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.29 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.532 ' HA ' ' O ' ' A' ' 133' ' ' LEU . 29.8 ptt180 40.95 67.24 3.04 Favored Pre-proline 0 N--CA 1.47 0.55 0 C-N-CA 124.312 1.045 . . . . 0.0 112.64 -176.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -88.22 136.24 3.4 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 122.681 2.254 . . . . 0.0 112.544 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -76.21 117.26 17.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.754 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 34.8 t70 . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.345 -0.836 . . . . 0.0 111.265 -178.086 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 112.206 -0.357 . . . . 0.0 112.206 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -65.44 -30.7 52.67 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.839 2.359 . . . . 0.0 112.046 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 mp -93.47 133.19 37.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.599 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.59 101.62 0.47 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.183 -0.532 . . . . 0.0 111.965 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -82.79 65.36 7.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.037 0.446 . . . . 0.0 110.594 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 41.4 mtm -95.4 93.77 7.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.582 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -89.49 151.83 21.77 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 173.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.403 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 51.2 mtt -97.94 131.9 43.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.545 0.688 . . . . 0.0 110.826 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.745 ' HB ' HG23 ' A' ' 84' ' ' ILE . 37.1 mt -105.4 117.03 50.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.017 -0.992 . . . . 0.0 108.964 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -93.67 123.97 37.35 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 92.6 t -128.53 129.05 68.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 m -102.0 133.73 44.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-O 121.053 0.454 . . . . 0.0 110.218 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.81 132.56 55.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.07 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.581 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.89 117.16 34.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.154 0.502 . . . . 0.0 110.816 -177.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.414 HG23 ' CG2' ' A' ' 22' ' ' ILE . 4.4 mt -97.73 100.95 11.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 174.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.574 HD12 HD23 ' A' ' 23' ' ' LEU . 36.8 mt -91.65 104.79 15.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.282 -176.293 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.626 ' HB3' ' HE2' ' A' ' 90' ' ' HIS . 39.9 tt0 -111.93 113.97 26.6 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.137 -175.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.99 143.48 42.82 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 176.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 69.48 7.56 6.3 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.509 0.506 . . . . 0.0 111.004 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.28 -0.95 64.16 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -177.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 15.7 mmtp -113.96 154.69 27.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.462 -0.369 . . . . 0.0 110.345 -176.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.633 HG21 ' HE1' ' A' ' 39' ' ' PHE . 23.1 mt -104.19 142.85 16.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.574 HD23 HD12 ' A' ' 16' ' ' ILE . 39.2 tp -81.13 119.23 23.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.101 0.477 . . . . 0.0 110.621 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.602 HD13 ' SG ' ' A' ' 109' ' ' CYS . 8.5 mp -114.99 133.75 55.77 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.072 176.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 37' ' ' TRP . . . -108.38 127.22 53.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.3 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -77.55 132.81 38.52 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.36 174.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.407 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 46.2 ttt-85 81.3 107.53 0.03 OUTLIER Pre-proline 0 C--N 1.327 -0.38 0 C-N-CA 124.427 1.091 . . . . 0.0 109.802 -177.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.576 ' HD2' ' HB2' ' A' ' 31' ' ' SER . 16.3 Cg_exo -65.33 -75.23 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 123.014 2.476 . . . . 0.0 112.511 -176.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -157.9 -78.27 0.08 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.351 -176.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -100.23 10.68 40.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.047 -176.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.576 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 48.6 m -75.25 108.24 7.88 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.99 176.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -63.7 -37.29 86.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.424 0.63 . . . . 0.0 109.622 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -73.19 119.83 17.98 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.032 -0.986 . . . . 0.0 110.306 173.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.46 172.17 8.36 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.105 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.11 -29.25 7.81 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.444 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.511 ' H ' HD22 ' A' ' 36' ' ' LEU . 2.0 mm? -74.27 141.99 45.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.666 0.269 . . . . 0.0 110.465 177.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.545 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 35.4 m0 -107.38 147.74 29.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.198 175.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.48 173.65 13.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.896 0.379 . . . . 0.0 111.528 177.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.633 ' HE1' HG21 ' A' ' 22' ' ' ILE . 96.5 m-85 -92.38 118.8 31.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.504 176.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.433 ' HB3' HD11 ' A' ' 62' ' ' LEU . . . -61.73 164.29 6.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.732 -177.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.82 -133.45 3.62 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -176.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.424 ' HA3' ' OE2' ' A' ' 57' ' ' GLU . . . 161.3 179.36 35.97 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.734 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -78.1 150.61 33.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.945 0.402 . . . . 0.0 110.48 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.7 t -99.11 126.3 52.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.649 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 33.7 mm-40 -84.91 143.75 40.71 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 171.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -55.1 -29.3 64.99 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.71 2.273 . . . . 0.0 113.094 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -70.7 -28.56 64.85 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 18.4 pt-20 -104.17 163.45 12.39 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.428 0.633 . . . . 0.0 111.551 -173.057 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.2 m -96.38 167.2 11.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.734 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -57.42 -57.03 14.43 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.119 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.532 ' O ' HG23 ' A' ' 55' ' ' VAL . 83.2 mtt180 -65.94 -28.5 68.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.208 0.528 . . . . 0.0 109.703 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -71.34 -43.45 66.97 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.394 -172.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.47 -47.33 86.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.875 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.683 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 31.5 mt -61.45 -43.18 99.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.726 0.298 . . . . 0.0 111.27 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 51' ' ' ARG . 53.8 t -61.96 -43.18 97.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.034 -177.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.507 ' HG3' ' N ' ' A' ' 57' ' ' GLU . 13.1 ptt85 -73.36 -44.47 58.65 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.241 -0.583 . . . . 0.0 110.879 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.507 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 5.3 mm-40 -58.2 -46.84 85.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.713 0.292 . . . . 0.0 111.538 -178.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 27.5 mt -69.38 -28.93 66.61 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.09 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 59' ' ' ARG . 21.6 ttt180 -65.1 -36.72 85.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.834 0.349 . . . . 0.0 110.86 174.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 28.8 mt-10 -82.55 -44.24 16.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.281 -177.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.419 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 76.8 mm-40 -91.52 -36.21 13.85 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -175.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.569 HD12 HD22 ' A' ' 58' ' ' LEU . 63.1 mt -110.09 3.85 20.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -174.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 55.6 21.87 30.07 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 114.914 0.725 . . . . 0.0 114.914 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.488 HG23 ' HA ' ' A' ' 98' ' ' LEU . 36.2 pt -122.83 144.55 31.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 118.105 0.952 . . . . 0.0 111.808 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.563 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 28.4 mt-10 -92.18 93.97 8.96 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 173.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.438 ' CB ' HD12 ' A' ' 58' ' ' LEU . . . -78.76 150.26 32.47 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.072 0.463 . . . . 0.0 111.938 -172.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.593 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 57.4 m -109.53 103.98 12.96 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 172.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.53 ' HA ' HG12 ' A' ' 91' ' ' VAL . 39.4 t -85.31 134.75 26.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.498 -175.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.657 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 177.34 74.87 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.221 -0.99 . . . . 0.0 112.596 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.657 ' HG2' ' O ' ' A' ' 69' ' ' GLY . 30.9 mm-40 173.04 103.74 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.122 1.369 . . . . 0.0 109.383 178.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -84.38 113.65 21.32 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 81.2 t -95.73 -70.17 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.801 0.334 . . . . 0.0 111.695 -176.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.98 168.84 22.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.975 0.417 . . . . 0.0 111.45 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.0 p -136.97 143.57 42.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.66 175.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -135.77 135.85 40.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.716 0.293 . . . . 0.0 110.468 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -109.23 145.62 35.58 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.435 0.636 . . . . 0.0 111.115 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -160.76 175.34 12.71 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -119.49 150.5 40.13 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.563 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.625 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.7 p -120.67 95.26 3.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.731 172.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.4 m 47.93 67.5 0.82 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.6 -177.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.7 -23.74 8.52 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 121.06 -0.59 . . . . 0.0 114.483 177.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.431 ' HB2' HG13 ' A' ' 79' ' ' VAL . 75.5 mtt180 -93.07 137.56 32.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.776 0.788 . . . . 0.0 110.158 -177.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 8' ' ' MET . 2.0 mp -94.85 114.2 30.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.075 0.464 . . . . 0.0 110.562 -175.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.745 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -90.79 138.29 19.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.81 178.615 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -118.95 100.79 7.59 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.231 -0.895 . . . . 0.0 108.902 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.457 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.5 mp -89.8 128.76 36.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.993 0.425 . . . . 0.0 111.294 -177.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -109.63 113.02 25.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.261 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.7 107.08 18.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.009 0.433 . . . . 0.0 110.711 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -107.01 130.41 54.65 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.427 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.626 ' HE2' ' HB3' ' A' ' 17' ' ' GLU . 14.8 t-80 -90.54 118.72 30.22 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.44 177.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.53 HG12 ' HA ' ' A' ' 68' ' ' VAL . 17.4 m -91.18 109.78 37.92 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-O 121.23 0.538 . . . . 0.0 109.98 177.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.593 ' HD2' ' O ' ' A' ' 67' ' ' THR . 56.0 Cg_endo -72.57 -11.99 26.63 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.666 2.244 . . . . 0.0 112.601 -178.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -155.62 150.81 26.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.243 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 36.6 p90 -147.15 138.37 23.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.697 174.076 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.563 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 33.1 t-80 -101.32 130.39 47.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.135 -178.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 109.36 -156.35 15.66 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.812 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.1 m -129.48 139.08 51.69 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.588 HD11 ' CZ2' ' A' ' 108' ' ' TRP . 0.7 OUTLIER -81.72 124.99 30.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.808 0.813 . . . . 0.0 111.394 -173.206 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.436 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 17.2 pt20 -138.3 137.72 37.7 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.716 -176.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.647 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -93.22 122.58 35.76 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -171.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 17.2 t-80 -85.55 -77.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.515 175.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.419 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 42.5 mm-40 -79.35 -29.55 42.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.176 0.513 . . . . 0.0 111.264 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.425 ' HB3' ' HB1' ' A' ' 25' ' ' ALA . 10.0 m-70 -81.78 157.14 24.6 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -178.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -93.41 -67.57 0.85 Allowed 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.337 -172.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.05 150.71 36.85 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.734 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.647 HD13 ' HB2' ' A' ' 100' ' ' ALA . 4.0 mp -123.16 130.21 52.46 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.428 HG11 ' CZ3' ' A' ' 37' ' ' TRP . 12.3 p -134.12 148.02 30.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.873 0.368 . . . . 0.0 111.171 -176.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.588 ' CZ2' HD11 ' A' ' 98' ' ' LEU . 22.2 m-90 -105.41 112.43 25.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.497 175.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.602 ' SG ' HD13 ' A' ' 24' ' ' LEU . 25.9 p -133.18 155.04 50.04 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.602 178.11 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.4 m -68.15 152.9 96.15 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.031 -178.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.567 ' O ' HD11 ' A' ' 127' ' ' LEU . 6.5 Cg_endo -49.32 -47.49 22.09 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.011 2.474 . . . . 0.0 112.788 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -64.84 -35.8 82.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.866 0.365 . . . . 0.0 111.193 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -74.43 -33.73 63.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.476 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.97 87.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.557 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.619 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -75.39 -11.97 60.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.989 0.423 . . . . 0.0 110.68 -176.138 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -80.48 -10.25 59.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.239 0.543 . . . . 0.0 110.321 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.647 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 36.9 m-85 -103.11 170.11 6.64 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.219 -174.059 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.647 ' HD2' ' HB3' ' A' ' 117' ' ' TYR . 62.0 Cg_endo -73.26 73.76 3.2 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.244 1.963 . . . . 0.0 112.496 -177.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.545 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 27.8 mt -81.02 149.01 29.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.68 175.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.609 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -65.25 154.78 86.53 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.863 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.401 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 8.2 Cg_endo -50.2 -33.67 36.78 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.651 2.901 . . . . 0.0 114.13 -175.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.455 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -85.23 -21.89 28.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.781 0.324 . . . . 0.0 111.423 -176.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.609 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.7 m-20 -82.08 -23.83 35.55 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.819 -173.062 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.443 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 76.4 mt -62.71 -58.07 18.68 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.234 -177.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.443 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 19.1 Cg_endo -59.85 -24.53 76.38 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 122.477 2.118 . . . . 0.0 112.61 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.3 mt -76.35 -44.42 36.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.102 0.477 . . . . 0.0 110.033 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.619 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.1 tm? -71.16 -37.54 72.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.068 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -50.76 -45.56 59.03 Favored 'General case' 0 N--CA 1.461 0.099 0 O-C-N 123.15 0.281 . . . . 0.0 111.03 175.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.494 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -80.85 -17.19 51.53 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.673 -178.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -75.81 -48.04 23.27 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.1 ptm -67.34 -33.46 75.29 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.398 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -60.41 -39.7 88.35 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.93 0.395 . . . . 0.0 110.86 172.22 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.82 -37.73 85.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.581 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -79.15 -20.85 47.49 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -87.27 -37.35 17.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.968 0.413 . . . . 0.0 110.609 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -92.9 -46.84 7.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.49 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 59.83 100.89 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.375 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.226 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -51.25 107.2 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.468 2.778 . . . . 0.0 113.334 -175.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -173.44 30.8 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.422 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 C--O 1.248 1.004 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.818 -173.798 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.808 0 N-CA-C 112.111 -0.396 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.29 -64.61 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.705 2.27 . . . . 0.0 111.641 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.7 tp -96.5 115.76 27.96 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 173.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.54 29.46 6.26 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.638 -176.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 p -62.0 -53.08 60.65 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.049 0.452 . . . . 0.0 110.285 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -68.16 112.83 5.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.394 172.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -87.25 161.6 17.91 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.999 0.428 . . . . 0.0 111.124 -174.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 64.7 mtt -105.71 144.96 31.73 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.091 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.829 ' HB ' HG23 ' A' ' 84' ' ' ILE . 20.6 mt -106.42 115.5 48.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 173.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.53 113.33 24.98 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -171.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 99.4 t -124.22 127.91 73.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.097 0.475 . . . . 0.0 109.837 -175.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 m -98.88 131.26 46.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 176.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.34 131.93 55.26 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -177.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.573 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.13 119.95 39.65 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 121.113 0.482 . . . . 0.0 110.77 -175.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.562 HG12 ' CD2' ' A' ' 39' ' ' PHE . 4.5 mt -94.88 100.04 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.162 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 173.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.542 HD12 HD23 ' A' ' 23' ' ' LEU . 35.4 mt -91.73 101.73 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.533 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . 3.3 tm-20 -119.83 126.08 50.12 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.703 -173.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 19' ' ' ASP . 16.3 tpt180 -149.2 143.73 26.11 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 177.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.472 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 18.1 t70 81.46 -22.49 0.26 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.374 0.67 . . . . 0.0 110.939 -174.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.04 5.55 28.74 Favored Glycine 0 N--CA 1.441 -0.975 0 N-CA-C 109.776 -1.329 . . . . 0.0 109.776 -163.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 4.7 mttp -114.32 145.79 41.32 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.177 -0.512 . . . . 0.0 109.884 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.414 ' CG2' HG23 ' A' ' 15' ' ' ILE . 24.1 mt -106.74 147.23 12.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.542 HD23 HD12 ' A' ' 16' ' ' ILE . 53.9 tp -89.09 122.63 32.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.239 0.543 . . . . 0.0 111.35 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.522 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 7.2 mp -111.9 138.82 48.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.93 178.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.26 114.82 22.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.302 0.572 . . . . 0.0 110.709 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.667 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 31.9 tt0 -69.77 106.57 3.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.611 -175.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.667 ' HB2' ' O ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER 158.53 103.38 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.498 0 O-C-N 124.705 1.253 . . . . 0.0 108.167 173.809 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.581 ' HG2' ' H ' ' A' ' 32' ' ' ASP . 44.6 Cg_endo -81.24 -154.9 0.06 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.543 2.162 . . . . 0.0 111.492 -176.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -144.08 -42.62 0.26 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -175.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -95.72 3.72 53.62 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.188 0.518 . . . . 0.0 110.496 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.8 m -119.78 -47.72 2.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.574 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.581 ' H ' ' HG2' ' A' ' 28' ' ' PRO . 14.6 m-20 69.06 -0.35 2.49 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.399 177.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -85.04 143.13 29.09 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.5 146.46 32.67 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.124 0.488 . . . . 0.0 110.86 -178.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.76 -29.49 7.46 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.794 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.558 ' HA ' ' HG2' ' A' ' 118' ' ' PRO . 4.0 mp -86.99 153.89 21.2 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.215 0.531 . . . . 0.0 111.58 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -118.85 154.18 33.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.387 -174.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.704 ' HG3' ' HE1' ' A' ' 103' ' ' HIS . 10.4 pt-20 -156.12 161.99 40.29 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 172.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.562 ' CD2' HG12 ' A' ' 15' ' ' ILE . 6.8 m-30 -82.14 145.75 29.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.939 0.4 . . . . 0.0 110.218 -176.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.53 164.76 26.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.293 -175.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.61 -136.76 4.89 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -178.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.05 175.38 34.86 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.383 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -78.23 150.66 33.41 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.4 t -91.77 126.34 44.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.381 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.594 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 42.8 mt-10 -97.41 135.68 21.67 Favored Pre-proline 0 C--N 1.319 -0.731 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 173.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.03 14.73 0.07 OUTLIER 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.548 2.832 . . . . 0.0 115.237 -168.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -102.2 -21.26 14.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.407 0.622 . . . . 0.0 110.641 173.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 14.6 pt-20 -109.85 152.36 25.87 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.758 -174.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.3 t -81.89 161.91 22.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.958 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -54.95 -40.68 70.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.725 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.525 ' O ' HG23 ' A' ' 55' ' ' VAL . 81.5 mtt180 -67.36 -40.79 85.83 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 110.012 178.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -67.31 -40.11 85.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.094 -175.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.69 -46.48 87.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.454 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.745 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 67.6 mt -59.97 -48.35 82.06 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.163 0.506 . . . . 0.0 110.337 177.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 51' ' ' ARG . 71.2 t -59.78 -46.58 93.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.527 -176.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.62 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 8.0 ppt_? -77.15 -40.13 46.67 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.342 -176.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.412 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 4.5 mm-40 -61.64 -40.76 96.01 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.168 -0.213 . . . . 0.0 111.399 177.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 40.7 mt -70.73 -29.06 65.21 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 120.262 -0.575 . . . . 0.0 109.847 176.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -66.24 -37.09 84.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.893 0.378 . . . . 0.0 110.674 173.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.62 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 31.2 mt-10 -81.11 -39.35 25.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.618 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.692 ' CD ' ' HB2' ' A' ' 102' ' ' GLU . 1.0 OUTLIER -84.51 -53.26 5.54 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.792 0.294 . . . . 0.0 111.792 179.057 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.73 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 25.2 mt -104.1 8.51 36.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.709 -167.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 46.64 31.71 5.32 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 114.986 0.755 . . . . 0.0 114.986 -175.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.565 HG12 ' HB2' ' A' ' 62' ' ' LEU . 42.3 pt -122.52 142.85 37.38 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 CA-C-N 118.167 0.984 . . . . 0.0 111.574 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -89.06 97.61 11.3 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.856 175.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.491 ' HB1' HG11 ' A' ' 91' ' ' VAL . . . -82.2 150.5 27.33 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.296 0.57 . . . . 0.0 111.873 -174.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.551 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 27.8 m -115.18 112.21 22.16 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.21 173.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.0 t -96.92 128.95 47.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.732 -175.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.85 64.67 0.1 OUTLIER Glycine 0 C--N 1.333 0.41 0 C-N-CA 119.856 -1.164 . . . . 0.0 114.036 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.485 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 11.5 pt-20 164.18 109.17 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.027 0.931 . . . . 0.0 109.827 177.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -79.5 127.02 31.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.124 -174.181 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.412 ' HA ' HD22 ' A' ' 133' ' ' LEU . 91.1 t -94.6 -70.04 0.65 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.309 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -167.96 -176.72 3.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.87 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.3 m -148.07 150.65 34.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.544 176.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -140.09 146.64 39.16 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -112.86 142.09 45.92 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.291 0.567 . . . . 0.0 111.235 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.633 ' HD3' ' HB2' ' A' ' 122' ' ' ALA . 28.2 ptt180 -145.08 160.29 41.63 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 176.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -108.61 142.0 39.71 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 119.091 -1.043 . . . . 0.0 110.137 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.765 HG11 HD12 ' A' ' 9' ' ' ILE . 2.1 p -112.32 93.22 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 174.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.3 m 36.54 66.84 0.36 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.677 -1.147 . . . . 0.0 112.551 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.6 -22.36 34.29 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 120.701 -0.761 . . . . 0.0 114.579 176.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.527 ' HD2' HD11 ' A' ' 9' ' ' ILE . 50.3 mtt180 -110.63 152.23 26.73 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 117.836 0.818 . . . . 0.0 110.493 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.428 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.7 mp -102.48 113.27 38.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.829 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -86.07 134.14 28.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.15 0.5 . . . . 0.0 110.212 177.334 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -112.75 97.7 6.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.481 -177.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.574 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.9 mp -90.71 124.04 34.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.722 0.296 . . . . 0.0 111.247 -176.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -109.04 116.81 32.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.905 175.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -96.62 116.11 28.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.173 0.511 . . . . 0.0 111.203 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -116.76 147.53 41.97 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.252 175.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.533 ' NE2' ' HB3' ' A' ' 17' ' ' GLU . 10.0 t-160 -96.55 127.49 42.59 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 173.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.491 HG11 ' HB1' ' A' ' 66' ' ' ALA . 13.8 m -91.26 105.23 11.89 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-O 121.168 0.509 . . . . 0.0 109.689 174.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.551 ' HD2' ' O ' ' A' ' 67' ' ' THR . 26.0 Cg_endo -62.86 -22.23 73.7 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.767 2.312 . . . . 0.0 112.078 179.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -145.23 144.29 30.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.875 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -146.1 132.89 20.03 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.722 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -112.5 119.23 37.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.741 -176.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 131.67 -165.13 23.43 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.183 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.1 m -115.91 113.78 23.77 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.531 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -69.04 121.14 16.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.667 0.746 . . . . 0.0 111.086 -176.05 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.73 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 10.8 pt20 -132.92 167.76 19.66 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.286 -177.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.571 ' HB2' HD11 ' A' ' 106' ' ' LEU . . . -102.23 137.39 40.55 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.427 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.592 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 16.1 t60 -125.07 -58.14 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.692 ' HB2' ' CD ' ' A' ' 61' ' ' GLU . 6.4 mm-40 -85.29 -42.26 14.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.707 177.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.704 ' HE1' ' HG3' ' A' ' 38' ' ' GLU . 11.7 m-70 -86.11 -179.39 6.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.913 175.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -112.52 -69.8 0.84 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -172.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.25 162.49 14.03 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.342 -0.224 . . . . 0.0 110.593 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 100' ' ' ALA . 5.6 mp -137.93 136.8 37.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.027 0.441 . . . . 0.0 111.025 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.2 p -132.95 146.6 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.744 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -103.75 117.92 35.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.995 174.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 26.2 p -140.51 155.49 46.62 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.006 175.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.491 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 24.6 m -72.07 160.21 83.32 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 -177.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.491 ' HD2' ' HB3' ' A' ' 110' ' ' SER . 2.6 Cg_endo -46.94 -50.76 10.34 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.473 2.782 . . . . 0.0 113.596 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -67.75 -35.36 78.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.9 0.381 . . . . 0.0 110.692 -177.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.425 ' HA ' ' NE2' ' A' ' 116' ' ' GLN . 43.6 mm-40 -68.05 -38.87 82.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.734 177.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.57 -41.55 73.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.596 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.639 ' HG ' HD12 ' A' ' 127' ' ' LEU . 14.3 mt -72.9 -12.34 60.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.039 -176.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 113' ' ' GLU . 50.5 mt-30 -83.87 -11.96 56.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.017 0.437 . . . . 0.0 110.562 175.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.461 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 48.4 m-85 -89.64 164.43 29.25 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.335 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.558 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 42.9 Cg_endo -72.75 79.79 1.86 Allowed 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.324 2.016 . . . . 0.0 111.708 177.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.419 HD12 HD23 ' A' ' 115' ' ' LEU . 63.6 mt -89.75 152.88 21.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.423 178.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.489 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -66.24 155.85 86.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 176.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.415 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 19.0 Cg_endo -59.37 -14.48 25.07 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.086 2.524 . . . . 0.0 113.698 -176.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.633 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -96.31 -26.38 15.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.544 0.211 . . . . 0.0 111.04 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.489 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 2.4 m-20 -78.25 -24.86 46.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.431 -175.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.461 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 81.4 mt -65.07 -58.79 11.55 Favored Pre-proline 0 CA--C 1.539 0.528 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.905 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.461 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 12.3 Cg_endo -57.9 -30.63 90.31 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 122.555 2.17 . . . . 0.0 112.775 178.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 95.9 mt -70.67 -38.58 73.79 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.139 0.495 . . . . 0.0 109.939 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.639 HD12 ' HG ' ' A' ' 115' ' ' LEU . 1.8 tm? -72.15 -39.5 68.7 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.748 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -52.21 -42.4 63.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.769 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.503 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -82.54 -19.29 38.9 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -73.1 -45.76 55.22 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 177.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.6 ptm -70.95 -31.19 67.7 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.505 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.503 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -61.23 -40.57 94.52 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 120.794 0.33 . . . . 0.0 110.996 172.005 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 72' ' ' VAL . 1.4 mp -66.71 -37.15 84.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.453 -177.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -81.6 -15.45 54.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.035 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.43 -37.18 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 111.036 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -92.49 -36.47 13.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.648 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.423 ' HA ' ' HD2' ' A' ' 138' ' ' PRO . 35.1 ttm180 64.76 105.45 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.059 -178.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 137' ' ' ARG . 59.3 Cg_endo -72.03 112.36 3.39 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.108 1.872 . . . . 0.0 110.745 171.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -75.51 -30.55 59.84 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.436 -176.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 3.5 p30 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.423 -0.799 . . . . 0.0 109.503 179.748 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 111.886 -0.486 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -83.52 -23.25 3.45 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.032 2.488 . . . . 0.0 113.346 -176.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.6 tt -111.61 127.11 55.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.981 0.42 . . . . 0.0 110.486 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.42 -49.09 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.983 -0.627 . . . . 0.0 111.664 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m 71.29 -58.58 0.57 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.575 0.75 . . . . 0.0 111.383 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -96.03 151.97 18.96 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 173.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.738 ' HB2' ' HG2' ' A' ' 82' ' ' ARG . 85.8 mttt -103.95 122.64 45.64 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -178.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.6 mtt -101.93 130.47 48.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.523 0.677 . . . . 0.0 111.391 -175.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.768 ' HB ' HG23 ' A' ' 84' ' ' ILE . 41.4 mt -109.29 111.6 36.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 114.594 -1.184 . . . . 0.0 108.533 177.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -96.38 120.23 36.31 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -176.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.467 ' HB ' ' HG ' ' A' ' 86' ' ' LEU . 60.0 t -123.24 139.0 51.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -178.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.443 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 2.6 m -111.78 133.65 56.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-O 121.062 0.458 . . . . 0.0 110.421 175.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.25 131.51 55.89 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.635 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.93 119.17 38.38 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.17 0.51 . . . . 0.0 110.31 -177.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 22' ' ' ILE . 5.3 mt -95.24 99.86 10.05 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 176.121 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.747 HG13 HD23 ' A' ' 23' ' ' LEU . 2.1 mm -82.8 102.81 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.496 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 41.9 tt0 -109.4 113.3 26.0 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.211 -176.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.441 ' NH1' ' HA ' ' A' ' 93' ' ' ASP . 10.6 tpt180 -124.84 123.13 39.28 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.111 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 63.66 18.2 10.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.667 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.64 4.7 60.47 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 9.6 mttp -117.29 149.72 39.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.787 0.327 . . . . 0.0 110.72 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.664 HG21 ' HE1' ' A' ' 39' ' ' PHE . 12.5 mt -105.02 144.44 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.951 -174.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.747 HD23 HG13 ' A' ' 16' ' ' ILE . 52.7 tp -86.39 123.05 31.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.223 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.615 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 42.7 mt -117.01 146.01 43.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.785 175.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.47 122.42 40.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.15 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.47 106.41 2.97 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.524 0.678 . . . . 0.0 111.361 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.599 ' HB3' ' OE2' ' A' ' 38' ' ' GLU . 59.9 ttt180 -178.26 140.99 0.41 Allowed Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 113.931 -1.486 . . . . 0.0 108.019 169.073 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.601 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 47.7 Cg_endo -74.19 -39.51 1.6 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 121.438 1.425 . . . . 0.0 111.555 174.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 66.5 -69.94 0.11 Allowed 'General case' 0 N--CA 1.468 0.459 0 O-C-N 124.414 1.071 . . . . 0.0 111.643 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -82.7 -2.93 55.58 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.56 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.601 ' HB2' ' HB2' ' A' ' 28' ' ' PRO . 45.5 m -127.0 158.02 38.02 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.227 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -79.74 -45.66 18.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.02 0.438 . . . . 0.0 110.705 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -61.42 119.97 9.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.029 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . . . -92.35 -178.61 4.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 0.0 111.657 -176.123 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.89 -12.09 57.62 Favored Glycine 0 CA--C 1.508 -0.355 0 C-N-CA 121.252 -0.499 . . . . 0.0 111.882 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.614 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 7.7 mp -84.93 156.51 21.18 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.821 -0.689 . . . . 0.0 111.386 -178.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 42.5 m95 -113.61 146.82 39.13 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 175.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.599 ' OE2' ' HB3' ' A' ' 27' ' ' ARG . 17.0 pt-20 -135.51 161.43 35.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.599 0.238 . . . . 0.0 110.859 -173.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.664 ' HE1' HG21 ' A' ' 22' ' ' ILE . 94.8 m-85 -85.98 117.02 24.56 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 172.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.63 151.33 25.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.303 -176.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 168.2 -146.6 10.62 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.39 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.51 ' HA3' ' HG3' ' A' ' 57' ' ' GLU . . . 176.92 172.46 41.55 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.298 -0.953 . . . . 0.0 113.173 -178.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -78.19 148.83 33.86 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.841 0.353 . . . . 0.0 110.361 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.6 t -96.19 124.5 48.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.411 -175.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.503 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 45.4 mt-10 -79.24 132.88 61.61 Favored Pre-proline 0 N--CA 1.445 -0.697 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 169.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.45 -30.01 71.48 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.5 2.134 . . . . 0.0 112.256 -176.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -84.85 2.62 41.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.649 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.503 ' HG2' ' HB2' ' A' ' 45' ' ' GLU . 20.1 pt-20 -123.13 163.56 20.33 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 173.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.8 m -83.33 158.92 21.99 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.243 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -67.68 -39.35 84.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 55' ' ' VAL . 55.1 mtt180 -65.87 -36.33 83.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.3 0.572 . . . . 0.0 109.484 173.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -71.68 -40.67 69.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.297 -174.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.35 -44.23 95.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.453 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.717 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 16.9 mt -60.65 -45.58 93.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.886 0.374 . . . . 0.0 110.982 175.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 51' ' ' ARG . 44.2 t -58.62 -43.89 88.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.8 -178.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.668 ' HD3' ' N ' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -74.87 -44.93 46.3 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.329 -179.449 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.668 ' N ' ' HD3' ' A' ' 56' ' ' ARG . 10.0 mm-40 -60.29 -42.03 94.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.594 0.235 . . . . 0.0 111.429 -178.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.717 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 35.9 mt -70.47 -33.57 71.41 Favored 'General case' 0 C--O 1.219 -0.52 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.769 178.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -64.79 -37.49 87.79 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.838 0.352 . . . . 0.0 110.792 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.648 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 30.3 mt-10 -84.56 -38.29 20.15 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.545 -177.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.41 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 71.9 mm-40 -85.31 -52.18 6.07 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.605 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 57.4 mt -93.24 -21.61 19.51 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.096 -172.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.68 22.13 60.51 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 119.96 -1.114 . . . . 0.0 111.325 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.444 HG12 ' HB2' ' A' ' 62' ' ' LEU . 44.4 pt -119.57 142.36 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.162 0.506 . . . . 0.0 111.094 -177.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.444 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 47.4 mt-10 -90.18 93.16 9.25 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 174.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.86 155.29 21.8 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.017 -172.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.656 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 31.2 m -113.29 112.61 24.01 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.21 174.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.412 HG13 ' HB3' ' A' ' 89' ' ' TRP . 48.0 t -94.09 121.86 45.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 -177.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -124.14 -80.55 0.46 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.203 -0.998 . . . . 0.0 113.051 -174.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.804 ' HG2' ' HB3' ' A' ' 90' ' ' HIS . 2.0 pm0 -89.6 129.26 36.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.368 0.604 . . . . 0.0 112.253 -174.329 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -81.22 136.2 35.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.849 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.6 t -100.99 -70.96 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.56 162.13 41.55 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 120.248 -0.581 . . . . 0.0 112.031 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 70.5 m -130.33 146.16 51.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.962 176.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -135.17 139.63 44.73 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -108.59 146.26 33.6 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.278 0.561 . . . . 0.0 111.18 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -158.27 171.14 20.73 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 174.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.459 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 11.0 pt-20 -114.95 148.3 38.89 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.357 -0.937 . . . . 0.0 111.209 -177.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.601 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.7 p -122.98 95.12 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.101 175.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.1 m 48.53 65.42 1.35 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.057 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.67 2.69 88.46 Favored Glycine 0 CA--C 1.522 0.515 0 C-N-CA 121.173 -0.537 . . . . 0.0 114.211 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.738 ' HG2' ' HB2' ' A' ' 7' ' ' LYS . 78.4 mtm180 -117.39 146.47 43.41 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 117.402 0.601 . . . . 0.0 110.921 177.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.411 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.1 mp -101.33 115.04 42.32 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 120.817 0.342 . . . . 0.0 111.498 -176.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.768 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -92.94 139.06 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.732 175.652 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -125.42 100.56 6.54 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.718 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.467 ' HG ' ' HB ' ' A' ' 11' ' ' VAL . 7.1 mp -87.95 133.72 33.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.16 -178.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.416 ' HB2' HG12 ' A' ' 12' ' ' VAL . 39.9 m80 -116.35 115.24 25.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.167 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.558 ' HB2' HD23 ' A' ' 126' ' ' LEU . . . -89.8 110.15 21.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.99 0.424 . . . . 0.0 110.871 177.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.412 ' HB3' HG13 ' A' ' 68' ' ' VAL . 80.8 m95 -105.73 139.88 39.63 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.595 176.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.804 ' HB3' ' HG2' ' A' ' 70' ' ' GLU . 52.9 t-80 -85.04 121.01 27.2 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.15 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.505 ' HB ' ' HA ' ' A' ' 16' ' ' ILE . 61.6 t -96.37 99.77 5.89 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 174.104 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.656 ' HD2' ' O ' ' A' ' 67' ' ' THR . 31.4 Cg_endo -86.1 -11.56 6.36 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.955 2.437 . . . . 0.0 112.389 -174.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.441 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 11.7 t70 -158.41 146.24 18.24 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.423 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -148.93 146.09 27.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.443 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 59.9 t60 -107.74 120.87 43.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.983 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.03 -165.39 20.25 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.334 176.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 86.7 m -121.18 127.61 51.68 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.532 HD22 HD22 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -80.36 124.88 29.26 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.671 0.748 . . . . 0.0 111.055 -172.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.605 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 20.1 pt20 -128.05 155.84 43.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.523 -176.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -106.33 107.08 17.91 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.396 -0.522 . . . . 0.0 112.083 -176.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -80.48 -72.06 0.43 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.605 174.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.511 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 17.1 mm-40 -78.8 -18.97 53.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.925 -178.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -105.48 170.83 7.66 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -175.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -88.42 -74.25 0.47 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.201 -0.6 . . . . 0.0 111.752 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -127.22 168.24 14.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.139 -175.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.533 ' HB3' HD11 ' A' ' 23' ' ' LEU . 2.9 mm? -118.72 142.81 47.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.297 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.9 p -134.41 142.59 40.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.886 0.374 . . . . 0.0 110.776 174.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.503 ' CZ2' HD11 ' A' ' 98' ' ' LEU . 21.0 m-90 -104.09 110.67 22.94 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 175.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.7 p -134.42 154.31 51.45 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.884 -176.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.541 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 26.1 m -71.97 156.92 90.38 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.439 ' O ' HD11 ' A' ' 127' ' ' LEU . 52.0 Cg_exo -47.42 -54.9 4.46 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.274 2.649 . . . . 0.0 113.769 -176.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 112' ' ' GLU . 0.5 OUTLIER -72.82 -24.67 60.93 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.564 -174.562 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.541 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 42.2 mm-40 -66.88 -42.15 86.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.262 172.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 117' ' ' TYR . . . -57.32 -35.63 70.1 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.286 -177.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.724 ' HG ' HD12 ' A' ' 127' ' ' LEU . 18.4 mt -75.06 -11.77 60.17 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.634 -178.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -83.63 -12.97 55.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.292 0.568 . . . . 0.0 109.872 172.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 114' ' ' ALA . 27.8 m-85 -85.55 156.31 59.09 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.179 178.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.614 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 55.4 Cg_endo -70.89 81.53 1.09 Allowed 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.869 1.713 . . . . 0.0 111.419 176.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.561 HD12 HD23 ' A' ' 115' ' ' LEU . 79.7 mt -88.72 152.68 21.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.976 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.612 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -66.48 154.54 90.73 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.385 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -62.91 -8.23 13.29 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.685 2.257 . . . . 0.0 113.667 -175.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.445 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -98.74 -20.98 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.136 0.493 . . . . 0.0 110.37 178.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.612 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.6 m-20 -84.17 -27.9 27.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.765 -176.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.631 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 72.8 mt -62.98 -58.74 14.94 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.35 -176.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 9.3 Cg_endo -52.62 -34.46 63.49 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 122.896 2.397 . . . . 0.0 112.718 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.558 HD23 ' HB2' ' A' ' 88' ' ' ALA . 5.9 mp -70.52 -39.11 74.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.798 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.724 HD12 ' HG ' ' A' ' 115' ' ' LEU . 2.2 tm? -72.56 -38.58 67.92 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.631 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 38.8 mt-10 -53.6 -42.69 67.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.768 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.427 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -80.63 -20.2 43.66 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.317 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -73.1 -46.81 49.18 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.2 ptm -69.46 -32.57 71.57 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.799 175.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -57.04 -41.24 78.27 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-O 120.868 0.365 . . . . 0.0 110.899 172.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.444 ' O ' ' HD3' ' A' ' 138' ' ' PRO . 3.2 mp -65.7 -43.64 88.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.691 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -72.52 -18.36 61.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.817 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -92.45 -37.43 12.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.625 0.25 . . . . 0.0 111.671 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -94.34 -13.36 26.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.302 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 137' ' ' ARG . 4.4 ptp180 41.07 91.32 0.06 OUTLIER Pre-proline 0 N--CA 1.474 0.729 0 O-C-N 124.512 1.133 . . . . 0.0 113.136 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 133' ' ' LEU . 32.0 Cg_exo -61.19 141.94 95.06 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.862 2.375 . . . . 0.0 112.255 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -147.76 106.47 3.81 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.996 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 23.2 t70 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.27 -0.872 . . . . 0.0 109.618 -178.56 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 111.704 -0.558 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -77.23 -28.93 5.35 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.312 2.008 . . . . 0.0 111.402 176.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 4' ' ' GLY . 6.8 tt -173.16 139.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.447 ' N ' HD23 ' A' ' 3' ' ' LEU . . . -63.74 101.39 0.46 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.019 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 p -58.41 106.8 0.42 Allowed 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.39 0.614 . . . . 0.0 110.901 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.522 ' HB3' HD13 ' A' ' 83' ' ' ILE . 68.8 mtm -86.47 85.31 7.31 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.917 -176.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -88.46 153.34 21.24 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 169.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 64.4 mtm -96.86 126.9 42.34 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.472 0.653 . . . . 0.0 110.593 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.594 ' HB ' HG23 ' A' ' 84' ' ' ILE . 23.0 mt -105.13 117.0 50.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.303 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -95.77 122.68 38.8 Favored 'General case' 0 C--N 1.306 -1.305 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.743 -178.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.604 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 93.1 t -124.7 124.85 68.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.442 ' CG2' ' HG ' ' A' ' 54' ' ' LEU . 2.5 m -99.16 131.3 46.69 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 CA-C-O 121.161 0.505 . . . . 0.0 110.368 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.55 129.05 55.6 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.716 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -101.11 113.59 26.75 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 121.166 0.507 . . . . 0.0 110.18 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.634 HG23 HG23 ' A' ' 22' ' ' ILE . 7.8 mt -88.89 99.66 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.216 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 176.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.78 HG13 HD23 ' A' ' 23' ' ' LEU . 2.2 mm -86.11 101.14 10.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -175.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.516 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 34.7 tt0 -103.22 113.28 26.64 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.882 -175.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 28.6 tpt180 -127.37 126.55 42.69 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.188 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 70.85 -0.71 2.91 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.722 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.35 -0.5 29.54 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.399 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 4.5 mtpt -111.64 155.74 22.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.715 0.293 . . . . 0.0 110.358 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.634 HG23 HG23 ' A' ' 15' ' ' ILE . 23.6 mt -104.5 146.91 11.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.302 -176.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.78 HD23 HG13 ' A' ' 16' ' ' ILE . 60.4 tp -88.96 119.85 29.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.318 -178.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.534 HD13 ' SG ' ' A' ' 109' ' ' CYS . 7.5 mp -114.02 137.66 51.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.861 177.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.36 120.36 37.93 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.107 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -69.0 117.51 10.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.164 0.507 . . . . 0.0 111.54 -177.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.463 ' HD3' ' OE1' ' A' ' 38' ' ' GLU . 37.3 ttt180 -175.19 127.79 0.4 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 114.663 -1.153 . . . . 0.0 108.86 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.715 ' HG3' ' HA ' ' A' ' 34' ' ' ALA . 10.5 Cg_endo -87.49 -80.79 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 122.352 2.035 . . . . 0.0 112.322 177.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 28' ' ' PRO . . . 168.8 -82.18 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.695 0.798 . . . . 0.0 109.332 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -111.73 -17.13 13.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.504 177.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.43 ' O ' ' HG2' ' A' ' 28' ' ' PRO . 15.1 m -71.24 128.63 36.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.69 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -91.83 6.17 47.12 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.385 0.612 . . . . 0.0 109.927 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -75.95 -25.0 55.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.513 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.715 ' HA ' ' HG3' ' A' ' 28' ' ' PRO . . . 56.16 -160.12 0.21 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.797 178.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.16 -28.7 5.98 Favored Glycine 0 N--CA 1.452 -0.239 0 CA-C-N 116.053 -0.521 . . . . 0.0 113.282 175.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.483 HD12 ' HB3' ' A' ' 28' ' ' PRO . 13.1 mt -76.53 148.31 37.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.806 0.336 . . . . 0.0 111.424 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.403 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 65.0 m95 -113.95 147.64 38.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.156 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.463 ' OE1' ' HD3' ' A' ' 27' ' ' ARG . 6.2 pt-20 -134.64 164.47 27.42 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -89.91 141.25 28.82 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.51 152.06 44.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.658 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.63 -145.39 11.03 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.033 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.79 177.7 38.78 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.379 -178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.5 ' HG2' ' N ' ' A' ' 44' ' ' VAL . 75.3 tttt -78.08 153.74 31.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.975 0.416 . . . . 0.0 110.765 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.5 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 47.0 t -109.4 126.76 66.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.793 176.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 9.1 tp10 -86.54 127.92 58.84 Favored Pre-proline 0 C--N 1.318 -0.803 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 169.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.512 ' HD2' ' OE2' ' A' ' 45' ' ' GLU . 8.7 Cg_endo -52.01 -15.53 3.45 Favored 'Trans proline' 0 CA--C 1.535 0.538 0 C-N-CA 123.073 2.515 . . . . 0.0 114.042 -175.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -79.05 -22.25 45.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.92 0.391 . . . . 0.0 111.186 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 13.8 pt-20 -108.26 163.97 12.72 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 177.06 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.4 m -87.08 154.29 20.87 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 -177.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -61.47 -41.01 96.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.295 -177.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.443 ' HB3' ' HB ' ' A' ' 68' ' ' VAL . 87.5 mtt180 -69.39 -33.32 72.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.917 0.389 . . . . 0.0 110.241 176.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -72.4 -40.79 66.94 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.468 -175.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -59.65 -43.84 93.74 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.422 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.716 HD22 ' HB2' ' A' ' 14' ' ' ALA . 15.8 mt -59.65 -44.05 93.68 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.001 0.429 . . . . 0.0 110.799 174.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 51' ' ' ARG . 34.3 t -60.51 -42.23 90.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.23 -177.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 53' ' ' ALA . 5.6 ppt_? -75.86 -42.88 48.15 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.109 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -60.25 -44.46 95.23 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 37.6 mt -68.3 -32.17 72.12 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.412 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.451 ' O ' ' HA2' ' A' ' 63' ' ' GLY . 32.2 ttt180 -63.41 -33.81 76.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.374 0.606 . . . . 0.0 110.57 178.018 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -89.04 -38.48 14.36 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.015 -176.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.604 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 63.9 mm-40 -85.65 -51.14 6.66 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.601 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.526 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 58.1 mt -94.52 -20.54 19.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.758 -174.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . 80.07 24.65 59.23 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.235 -0.983 . . . . 0.0 111.156 175.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.519 HD12 ' HB2' ' A' ' 94' ' ' PHE . 29.2 pt -124.86 146.31 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.397 0.618 . . . . 0.0 111.706 -176.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -90.23 98.58 11.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.091 174.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 94' ' ' PHE . . . -89.2 151.34 22.22 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.285 0.564 . . . . 0.0 112.183 -171.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.687 ' HB ' ' HB3' ' A' ' 93' ' ' ASP . 29.8 m -112.03 103.63 11.84 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.875 173.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.443 ' HB ' ' HB3' ' A' ' 51' ' ' ARG . 36.7 t -87.5 127.55 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.554 -175.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -125.19 -89.75 0.8 Allowed Glycine 0 CA--C 1.522 0.476 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.93 -172.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.563 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 5.9 pt-20 -91.41 133.82 35.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.557 0.694 . . . . 0.0 112.79 -169.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.638 ' OH ' ' HB2' ' A' ' 74' ' ' SER . 23.6 t80 -87.63 133.31 33.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.926 -1.033 . . . . 0.0 111.33 -174.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -94.26 -70.66 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.199 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -176.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -161.8 178.61 8.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.847 0.356 . . . . 0.0 111.672 -177.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.638 ' HB2' ' OH ' ' A' ' 71' ' ' TYR . 12.9 t -139.95 151.81 45.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.595 178.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -130.48 137.84 49.97 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -105.36 140.33 38.64 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.251 0.548 . . . . 0.0 111.276 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.474 ' HG3' HG13 ' A' ' 84' ' ' ILE . 19.3 ptt180 -155.86 175.12 14.36 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 176.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -119.05 151.64 37.88 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 119.639 -0.824 . . . . 0.0 111.692 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.67 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.7 p -123.34 95.03 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 170.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.5 p 46.2 70.84 0.34 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.872 -174.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.21 -23.08 5.56 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 121.176 -0.535 . . . . 0.0 114.21 176.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.406 ' HB2' HG13 ' A' ' 79' ' ' VAL . 85.5 mtt180 -92.36 130.81 37.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.356 -0.496 . . . . 0.0 110.574 -178.216 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.522 HD13 ' HB3' ' A' ' 6' ' ' MET . 1.9 mp -90.26 116.5 31.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.981 0.419 . . . . 0.0 110.384 -174.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.67 HD11 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -91.17 134.4 29.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.77 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -113.55 97.47 6.46 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.088 -0.96 . . . . 0.0 108.55 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.604 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 5.6 mp -89.59 117.72 28.69 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.783 -176.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.477 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . 90.7 m-70 -101.52 114.49 28.55 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.112 -178.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.32 113.56 25.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.957 0.408 . . . . 0.0 109.934 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.21 138.81 43.86 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.15 -178.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.563 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 15.1 t-160 -84.83 108.34 17.45 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.3 t -91.51 106.02 15.12 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.815 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.497 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 70.9 Cg_endo -89.73 -14.07 2.53 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 123.084 2.523 . . . . 0.0 113.216 -176.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.687 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 38.5 t70 -145.54 137.61 25.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.995 0.426 . . . . 0.0 111.566 -174.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.519 ' HB2' HD12 ' A' ' 64' ' ' ILE . 49.9 p90 -149.72 143.47 25.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.815 177.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -119.19 120.69 37.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.564 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 128.54 -163.25 22.07 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.027 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.6 m -118.5 115.27 24.26 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.788 HD12 HD23 ' A' ' 106' ' ' LEU . 0.2 OUTLIER -68.53 126.18 28.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.051 -175.902 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.526 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.2 pt20 -128.92 163.05 26.13 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.495 -176.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.57 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -106.61 100.22 9.75 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.098 177.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.403 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 34.8 t-80 -80.03 -74.39 0.31 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.858 178.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.604 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 5.5 mm-40 -82.93 -2.64 55.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.553 0.692 . . . . 0.0 110.719 178.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -111.07 161.06 16.29 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.033 -0.985 . . . . 0.0 108.446 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -96.65 -52.06 4.07 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.183 -176.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.99 159.44 24.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.206 -177.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.788 HD23 HD12 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -135.96 125.15 24.57 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.125 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.9 p -134.55 147.22 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.026 0.441 . . . . 0.0 111.726 -176.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 2.1 m0 -102.92 113.32 26.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.986 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.534 ' SG ' HD13 ' A' ' 24' ' ' LEU . 26.0 p -132.95 153.64 51.23 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 175.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.581 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 7.0 m -71.87 163.62 65.21 Favored Pre-proline 0 C--N 1.317 -0.821 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.087 -174.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.581 ' HD2' ' HB3' ' A' ' 110' ' ' SER . 6.4 Cg_endo -48.16 -55.31 4.15 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.28 2.653 . . . . 0.0 113.966 -175.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -69.19 -29.87 67.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.985 0.421 . . . . 0.0 110.298 -177.179 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.401 ' O ' ' HD1' ' A' ' 117' ' ' TYR . 5.4 mm-40 -65.71 -42.68 90.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.503 176.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.37 -44.28 97.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.693 -176.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.663 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -73.13 -16.21 61.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.958 0.409 . . . . 0.0 110.565 -176.587 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -88.77 2.74 52.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.098 0.475 . . . . 0.0 110.746 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.401 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 8.9 m-85 -98.34 161.29 25.81 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.554 172.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.11 87.53 0.6 Allowed 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 121.885 1.723 . . . . 0.0 112.115 176.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.448 HD12 HD22 ' A' ' 115' ' ' LEU . 67.6 mt -94.64 153.42 17.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.575 178.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.537 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -65.78 153.68 90.53 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.689 177.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.86 -21.33 32.73 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.539 2.826 . . . . 0.0 114.153 -175.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.474 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -91.47 -26.86 18.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.987 0.422 . . . . 0.0 110.968 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.537 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.9 m-20 -79.94 -27.08 39.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.795 -175.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.662 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 83.2 mt -61.4 -60.13 11.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.098 -177.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.457 ' HD3' ' HB ' ' A' ' 124' ' ' ILE . 27.2 Cg_endo -61.27 -27.34 83.25 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.442 2.095 . . . . 0.0 112.633 -176.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 94.4 mt -71.34 -42.22 68.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.253 0.549 . . . . 0.0 109.794 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.663 ' HB3' HD23 ' A' ' 115' ' ' LEU . 2.9 tm? -74.01 -35.9 64.44 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.563 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.662 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 36.3 mt-10 -54.9 -39.0 68.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 177.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.53 -29.05 41.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.889 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -67.99 -45.05 75.21 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -67.06 -33.44 75.51 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.606 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.76 83.48 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.718 0.294 . . . . 0.0 111.2 173.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.36 -46.24 87.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.993 0.425 . . . . 0.0 110.343 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -72.37 -22.17 61.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.109 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -84.43 -36.26 22.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.192 0.52 . . . . 0.0 110.704 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -85.69 -17.19 36.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.035 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 37.31 80.88 0.26 Allowed Pre-proline 0 N--CA 1.475 0.775 0 O-C-N 124.353 1.033 . . . . 0.0 112.105 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -71.11 113.65 3.66 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.809 2.339 . . . . 0.0 113.027 -174.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -91.72 89.87 7.29 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.435 173.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 14.7 t70 . . . . . 0 C--O 1.249 1.048 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.541 -174.683 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.935 -0.466 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -69.01 117.61 5.14 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.394 2.063 . . . . 0.0 112.291 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.9 mt -104.89 -1.48 25.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.133 0.492 . . . . 0.0 110.13 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.07 43.41 3.19 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.027 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 p -69.88 -46.6 65.13 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 21.7 ptp -78.2 144.84 35.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.503 175.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -108.07 133.77 51.9 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 175.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 88.5 mtp -99.23 130.74 45.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.285 0.564 . . . . 0.0 110.218 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.779 ' HB ' HG23 ' A' ' 84' ' ' ILE . 44.1 mt -105.37 110.95 32.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -95.13 122.87 38.25 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -173.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.447 ' HB ' ' HG ' ' A' ' 86' ' ' LEU . 82.5 t -122.48 135.29 63.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -177.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.445 ' CG2' ' HG ' ' A' ' 54' ' ' LEU . 3.4 m -105.85 131.56 55.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.056 175.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.0 128.74 55.94 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.975 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.509 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.28 108.38 19.72 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.256 -177.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.464 HG23 ' CG2' ' A' ' 22' ' ' ILE . 6.9 mt -93.41 98.87 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.905 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 177.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.887 HG12 HG21 ' A' ' 91' ' ' VAL . 18.3 mt -92.34 106.18 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -175.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.473 ' HB3' ' HE2' ' A' ' 90' ' ' HIS . 30.8 tt0 -112.99 129.67 56.41 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.617 -174.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -133.73 120.34 20.45 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 69.38 13.14 8.44 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.727 0.642 . . . . 0.0 111.723 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.6 6.24 54.92 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.141 -1.028 . . . . 0.0 112.5 -178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 12.2 mttp -115.79 142.77 46.31 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 176.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.527 HG21 ' HE1' ' A' ' 39' ' ' PHE . 32.6 mt -102.94 148.08 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.432 -175.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.582 HD11 ' HG ' ' A' ' 106' ' ' LEU . 40.9 tp -87.3 119.28 27.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.159 0.504 . . . . 0.0 111.162 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.0 mp -112.25 139.46 47.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.815 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 103' ' ' HIS . . . -120.42 117.99 29.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.084 0.468 . . . . 0.0 111.162 -179.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 23.6 tt0 -75.88 103.58 6.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.595 -177.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.639 ' CB ' ' HA ' ' A' ' 103' ' ' HIS . 13.6 tpt180 167.83 122.29 0.04 OUTLIER Pre-proline 0 C--O 1.223 -0.321 0 O-C-N 124.168 0.917 . . . . 0.0 108.923 175.44 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -87.8 -153.35 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.509 2.139 . . . . 0.0 111.522 177.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.09 -58.85 0.65 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.758 0.313 . . . . 0.0 111.39 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -93.53 -25.77 17.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.976 0.417 . . . . 0.0 110.955 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -75.59 -42.63 51.42 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.565 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 58.85 27.06 15.61 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.538 -176.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -112.89 130.88 55.95 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.97 158.01 24.03 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.445 -174.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.41 -29.92 7.3 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.154 177.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.438 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 6.1 mp -82.73 151.19 26.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.905 0.383 . . . . 0.0 111.279 176.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.412 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 45.9 m95 -118.65 152.49 35.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.649 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -147.38 166.63 26.58 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.527 ' HE1' HG21 ' A' ' 22' ' ' ILE . 96.6 m-85 -81.49 151.83 27.62 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 177.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.24 169.45 18.31 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.332 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 146.09 -142.05 10.2 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.865 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.46 ' HA3' ' HG3' ' A' ' 57' ' ' GLU . . . 170.63 175.9 39.63 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.095 -178.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -78.29 153.49 31.73 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.787 0.327 . . . . 0.0 110.572 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.51 109.53 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.811 ' HG3' ' HD2' ' A' ' 46' ' ' PRO . 2.8 tp10 -85.63 150.13 52.99 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.811 ' HD2' ' HG3' ' A' ' 45' ' ' GLU . 30.3 Cg_endo -64.0 11.54 0.1 Allowed 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 122.942 2.428 . . . . 0.0 114.198 -177.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 45' ' ' GLU . 5.9 m-20 -115.08 11.19 16.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.076 0.465 . . . . 0.0 110.58 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -145.6 171.07 15.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.936 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.1 t -105.5 163.57 12.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.832 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -58.71 -49.01 79.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.503 -176.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.482 ' O ' HG23 ' A' ' 55' ' ' VAL . 52.1 mtt180 -60.27 -39.68 87.71 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.422 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -68.95 -42.04 77.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.117 -176.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.96 -48.99 79.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.999 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.725 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 24.3 mt -59.62 -46.81 87.88 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 121.001 0.429 . . . . 0.0 110.698 178.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 51' ' ' ARG . 43.3 t -59.52 -49.75 82.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.409 -177.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.513 ' HG3' ' N ' ' A' ' 57' ' ' GLU . 8.0 ptt180 -68.58 -44.0 75.34 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.356 -176.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.513 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 5.7 mm-40 -63.16 -41.34 99.24 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.177 -0.209 . . . . 0.0 111.44 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.725 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 30.5 mt -69.83 -33.87 72.9 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 120.409 -0.516 . . . . 0.0 109.843 177.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.454 ' HD2' ' OE2' ' A' ' 65' ' ' GLU . 19.1 ttt180 -58.07 -37.35 74.29 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.447 174.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -88.43 -37.39 15.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.687 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 27.7 mm-40 -87.51 -50.47 6.51 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.676 0.251 . . . . 0.0 111.676 -178.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.656 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 39.5 mt -103.38 7.36 38.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.581 -171.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 47.22 37.11 10.68 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 115.191 0.837 . . . . 0.0 115.191 -177.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.471 HD12 ' HB2' ' A' ' 94' ' ' PHE . 35.5 pt -131.6 145.89 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 118.116 0.958 . . . . 0.0 112.122 178.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.585 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 20.2 mm-40 -90.72 104.07 16.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 172.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.707 ' HB1' ' HH2' ' A' ' 89' ' ' TRP . . . -86.15 149.37 25.17 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.07 0.462 . . . . 0.0 111.847 -174.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 89.1 m -107.05 104.29 13.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.363 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.623 ' HA ' ' CZ2' ' A' ' 89' ' ' TRP . 30.8 t -84.15 133.2 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.772 -0.195 . . . . 0.0 110.764 -175.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 174.11 63.93 0.05 OUTLIER Glycine 0 C--N 1.336 0.556 0 C-N-CA 119.738 -1.22 . . . . 0.0 114.729 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.409 ' CD ' ' HD1' ' A' ' 90' ' ' HIS . 11.8 pt-20 162.62 105.48 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.777 0.831 . . . . 0.0 110.581 176.23 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.675 ' HE1' ' HB3' ' A' ' 87' ' ' HIS . 48.0 t80 -86.73 130.14 34.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.198 -176.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.485 HG13 HD22 ' A' ' 133' ' ' LEU . 87.8 t -95.79 -71.25 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.19 -178.99 7.49 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.562 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.536 ' HB3' ' OH ' ' A' ' 71' ' ' TYR . 9.6 p -144.09 153.78 42.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.814 0.34 . . . . 0.0 110.996 177.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -137.66 137.49 38.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.681 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -101.64 144.28 30.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.23 0.538 . . . . 0.0 111.47 176.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.613 ' HG3' HG13 ' A' ' 84' ' ' ILE . 27.1 ptt180 -153.94 174.13 15.04 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 171.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -124.13 151.57 43.79 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 119.629 -0.828 . . . . 0.0 111.214 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.607 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.7 p -121.67 94.39 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 173.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.4 m 48.51 70.03 0.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.747 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.61 -23.38 8.84 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 120.838 -0.696 . . . . 0.0 114.712 176.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -98.3 135.97 39.15 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 117.944 0.872 . . . . 0.0 110.94 -177.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.2 mp -93.39 113.16 27.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.932 0.396 . . . . 0.0 110.492 -172.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.779 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -90.98 135.51 26.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.27 178.023 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -124.06 100.61 6.81 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.976 -175.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.489 HD22 ' HB1' ' A' ' 122' ' ' ALA . 7.3 mp -88.21 130.15 35.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.509 -177.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.675 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . 35.3 m80 -109.63 114.16 27.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.689 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.67 120.89 31.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.045 0.45 . . . . 0.0 111.051 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.707 ' HH2' ' HB1' ' A' ' 66' ' ' ALA . 3.3 t90 -119.4 132.62 55.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.52 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.474 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 39.5 t-80 -85.03 127.07 34.05 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 176.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.887 HG21 HG12 ' A' ' 16' ' ' ILE . 41.9 t -87.82 109.9 30.76 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 120.694 0.283 . . . . 0.0 110.549 -174.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 55.7 Cg_endo -73.75 -35.43 4.51 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.762 2.308 . . . . 0.0 112.032 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -152.71 144.01 23.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.156 -175.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.471 ' HB2' HD12 ' A' ' 64' ' ' ILE . 41.1 p90 -143.52 134.6 25.63 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.273 177.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.585 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 56.2 t-80 -93.04 120.67 33.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.604 177.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.35 -156.72 15.46 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.312 176.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 89.1 m -128.11 139.12 52.69 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.564 HD13 ' H ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -76.86 125.28 29.03 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.49 0.662 . . . . 0.0 110.516 -174.563 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.656 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 20.9 pt20 -124.43 164.56 19.45 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.274 -0.875 . . . . 0.0 108.901 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.634 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -113.23 107.51 16.0 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.36 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.547 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 34.3 t-80 -86.08 -78.89 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.659 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.687 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 19.6 mm-40 -75.46 -42.83 52.24 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.298 0.571 . . . . 0.0 110.464 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.639 ' HA ' ' CB ' ' A' ' 27' ' ' ARG . 59.3 m80 -74.34 152.71 39.54 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -94.23 -70.89 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -170.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -98.14 154.06 18.01 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 121.224 -0.191 . . . . 0.0 110.674 -176.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.634 HD13 ' HB2' ' A' ' 100' ' ' ALA . 1.1 tp -131.45 127.14 36.8 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -178.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.2 p -133.7 146.34 32.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.863 0.364 . . . . 0.0 111.48 -178.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.426 ' CZ2' HD21 ' A' ' 98' ' ' LEU . 4.4 m-90 -105.29 119.36 38.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.774 170.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 26.0 p -137.94 156.19 48.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.807 0.336 . . . . 0.0 110.366 175.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.1 m -65.3 153.79 88.92 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.791 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.513 ' O ' HD11 ' A' ' 127' ' ' LEU . 1.6 Cg_endo -45.97 -52.93 6.36 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.372 2.715 . . . . 0.0 113.46 -176.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.33 -28.59 66.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.878 0.37 . . . . 0.0 110.928 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -71.78 -32.71 67.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.605 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.36 99.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.226 177.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.679 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -72.47 -15.36 61.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.022 -177.088 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -84.96 -5.41 59.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.034 0.445 . . . . 0.0 110.56 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -93.94 163.18 24.65 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.755 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.438 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 54.3 Cg_endo -72.06 77.69 1.93 Allowed 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.223 1.948 . . . . 0.0 112.188 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.512 HD12 HD22 ' A' ' 115' ' ' LEU . 72.3 mt -84.89 153.51 22.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.822 175.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.489 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -69.88 156.21 92.16 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.709 178.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.413 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 24.8 Cg_endo -61.32 -8.52 10.65 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.116 2.544 . . . . 0.0 113.327 -177.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.489 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -93.49 -33.36 13.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.871 0.367 . . . . 0.0 110.234 177.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.489 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 3.3 m-20 -81.9 -28.86 32.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.425 -173.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.595 HG23 HD11 ' A' ' 115' ' ' LEU . 93.7 mt -60.29 -57.27 27.89 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.681 -175.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 18.6 Cg_endo -61.39 -24.98 79.44 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.208 1.939 . . . . 0.0 112.719 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.1 mt -71.62 -41.11 69.27 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.074 0.464 . . . . 0.0 109.836 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.679 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.4 tm? -73.04 -39.53 65.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.072 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -53.92 -41.47 67.71 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.597 0.237 . . . . 0.0 111.076 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.427 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -81.43 -23.13 37.72 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.25 179.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.402 ' HE1' ' HB2' ' A' ' 90' ' ' HIS . 84.3 t80 -67.69 -48.6 66.12 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.0 ptm -71.83 -30.46 65.5 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.694 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -59.64 -40.97 89.38 Favored 'General case' 0 C--N 1.338 0.082 0 CA-C-O 120.838 0.351 . . . . 0.0 111.049 173.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.485 HD22 HG13 ' A' ' 72' ' ' VAL . 3.5 mp -64.64 -35.39 80.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -84.03 -23.41 30.93 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.569 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.14 -39.46 12.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.753 0.311 . . . . 0.0 111.175 -176.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -94.27 -33.92 13.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.071 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 65.21 105.73 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.253 0 O-C-N 123.799 0.687 . . . . 0.0 111.829 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.54 176.64 9.46 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.422 2.082 . . . . 0.0 111.168 173.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 70.68 -58.68 0.55 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.251 0.62 . . . . 0.0 111.329 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 26.9 t70 . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.886 -0.578 . . . . 0.0 109.976 178.976 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.44 ' HA2' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.765 -0.534 . . . . 0.0 111.765 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.44 ' HD3' ' HA2' ' A' ' 1' ' ' GLY . 12.5 Cg_exo -70.41 120.63 7.28 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.919 2.413 . . . . 0.0 112.773 -177.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.2 tp 61.55 -88.71 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.749 0.82 . . . . 0.0 112.034 178.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.93 -151.83 19.48 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 121.025 -0.607 . . . . 0.0 111.748 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 m -94.94 -21.62 18.51 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.327 0.584 . . . . 0.0 110.462 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -107.57 135.7 48.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.707 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -96.64 138.73 33.77 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 176.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.9 mtm -96.03 135.67 37.5 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.321 0.581 . . . . 0.0 110.484 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.678 ' HB ' HG23 ' A' ' 84' ' ' ILE . 28.4 mt -104.89 106.88 21.3 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 176.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -90.5 123.98 34.63 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -174.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 57.6 t -127.22 125.22 65.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.406 HG11 ' HB3' ' A' ' 50' ' ' GLN . 2.9 m -98.86 131.86 45.26 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 177.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.28 130.16 56.83 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.594 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.54 114.3 28.39 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.145 0.498 . . . . 0.0 109.944 -178.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.502 HG23 HG23 ' A' ' 22' ' ' ILE . 5.5 mt -92.23 98.3 8.21 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.275 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 176.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.49 HD12 HD23 ' A' ' 23' ' ' LEU . 44.9 mt -89.94 103.4 14.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.461 -0.79 . . . . 0.0 108.904 -177.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 3.7 tm-20 -118.07 126.69 52.77 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.959 -173.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -139.66 130.99 26.76 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.852 -1.067 . . . . 0.0 108.472 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 68.86 14.57 8.92 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.601 0.563 . . . . 0.0 112.015 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.65 8.72 63.57 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.309 -0.948 . . . . 0.0 111.725 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.513 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 mmtp -118.61 138.54 52.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.699 0.285 . . . . 0.0 110.255 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.511 HG21 ' HE1' ' A' ' 39' ' ' PHE . 49.4 mt -104.11 149.61 7.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.322 -176.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 106' ' ' LEU . 33.3 tp -87.06 115.66 24.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.084 0.469 . . . . 0.0 111.066 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.445 HD23 HD21 ' A' ' 119' ' ' LEU . 5.9 mp -111.06 135.4 51.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.367 176.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.23 122.45 43.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.698 0.285 . . . . 0.0 110.964 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -69.78 120.41 15.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.497 -177.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.795 ' HD2' ' H ' ' A' ' 29' ' ' ALA . 3.6 tmm_? -179.09 130.07 0.26 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.233 -0.894 . . . . 0.0 108.79 178.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.635 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 59.5 Cg_endo -84.18 -20.47 4.2 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.554 2.169 . . . . 0.0 113.249 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.795 ' H ' ' HD2' ' A' ' 27' ' ' ARG . . . 80.9 -74.94 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 113.887 -1.506 . . . . 0.0 111.89 176.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -116.04 6.55 14.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.928 0.394 . . . . 0.0 111.156 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.635 ' HB2' ' HB2' ' A' ' 28' ' ' PRO . 66.9 m -103.85 149.49 25.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.976 0.417 . . . . 0.0 111.292 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -79.06 -31.11 44.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.247 175.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.508 ' HG2' ' HB3' ' A' ' 31' ' ' SER . 18.0 pt20 -67.87 132.1 46.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.5 177.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.84 171.7 7.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.01 -177.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.61 -20.3 22.86 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.578 178.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' A' ' 118' ' ' PRO . 2.3 mm? -74.57 147.13 41.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.918 0.39 . . . . 0.0 111.293 -177.344 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.512 ' HD1' ' HG2' ' A' ' 118' ' ' PRO . 65.7 m95 -113.71 145.02 41.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.763 177.168 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -139.78 155.73 47.14 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.511 ' HE1' HG21 ' A' ' 22' ' ' ILE . 93.0 m-85 -73.74 138.1 44.4 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 175.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.13 154.13 42.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.895 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 161.74 -133.63 3.22 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.406 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.73 174.32 36.59 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.134 -1.031 . . . . 0.0 113.314 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.5 tttm -77.87 149.8 34.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.958 0.409 . . . . 0.0 110.548 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.42 HG21 HE21 ' A' ' 50' ' ' GLN . 44.0 t -101.81 141.36 18.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.465 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.551 ' HG3' ' HD2' ' A' ' 46' ' ' PRO . 4.2 tp10 -110.0 148.29 37.98 Favored Pre-proline 0 C--N 1.319 -0.73 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.551 ' HD2' ' HG3' ' A' ' 45' ' ' GLU . 30.7 Cg_endo -64.78 10.81 0.13 Allowed 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 122.607 2.205 . . . . 0.0 112.631 174.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 45' ' ' GLU . 10.6 t70 -98.54 -18.65 18.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.553 0.692 . . . . 0.0 109.869 178.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -129.69 164.81 23.14 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.675 -173.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.7 m -88.56 157.21 18.68 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.42 HE21 HG21 ' A' ' 44' ' ' VAL . 10.1 mt-30 -67.9 -33.91 75.61 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.458 -174.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -70.12 -38.01 75.46 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -65.03 -37.63 88.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.83 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.13 -46.45 90.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.575 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.666 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 23.7 mt -61.89 -46.72 88.16 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.49 177.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.5 t -56.94 -49.86 77.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.046 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.562 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.1 ppt_? -70.04 -43.69 70.77 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.414 -178.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.71 -46.59 89.03 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 38.9 mt -66.4 -33.58 76.04 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.325 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -64.48 -33.43 75.88 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.845 0.355 . . . . 0.0 111.055 175.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.562 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 22.8 mt-10 -87.02 -34.91 19.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.395 -178.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.611 ' CD ' ' HB2' ' A' ' 102' ' ' GLU . 2.2 mt-10 -87.31 -53.76 4.66 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 178.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.781 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 34.8 mt -101.25 6.03 42.75 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.255 -168.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.79 24.48 33.48 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 121.118 -0.563 . . . . 0.0 114.052 -176.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.585 HG12 ' HB2' ' A' ' 62' ' ' LEU . 46.5 pt -126.15 135.72 62.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 117.619 0.71 . . . . 0.0 111.537 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.538 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 32.4 mt-10 -94.16 98.5 11.01 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 176.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.89 157.09 27.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.495 -171.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.452 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 56.9 m -107.42 105.95 16.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.278 -0.873 . . . . 0.0 108.66 174.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.0 t -79.33 129.5 37.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -137.51 -85.74 0.16 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.509 -0.853 . . . . 0.0 113.378 -177.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.61 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 5.8 pt-20 -88.56 126.06 35.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.775 0.798 . . . . 0.0 113.129 -169.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.414 ' HD1' ' CE2' ' A' ' 89' ' ' TRP . 14.1 t80 -77.74 132.15 37.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.793 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.8 t -97.04 -70.86 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.6 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -161.68 -177.15 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.837 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.9 m -149.18 156.16 41.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.737 0.303 . . . . 0.0 111.048 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -141.0 145.1 35.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.498 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -109.8 142.37 41.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.259 175.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.671 ' HG3' HG13 ' A' ' 84' ' ' ILE . 27.4 ptt180 -151.8 173.77 14.36 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 172.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -124.63 151.71 44.53 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 119.3 -0.96 . . . . 0.0 112.147 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.504 ' HB ' HD11 ' A' ' 84' ' ' ILE . 3.2 p -124.19 94.76 2.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 114.812 -1.086 . . . . 0.0 108.63 172.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.0 m 51.87 66.64 1.14 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.848 -177.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.84 -20.54 6.35 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 120.724 -0.75 . . . . 0.0 114.246 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.433 ' HB2' HG13 ' A' ' 79' ' ' VAL . 90.5 mtt180 -92.36 132.32 36.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.458 0.629 . . . . 0.0 109.986 -178.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mp -92.57 113.94 28.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.704 0.288 . . . . 0.0 110.471 -174.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.678 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -89.7 129.92 39.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.361 0.601 . . . . 0.0 109.951 177.458 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -119.12 99.5 6.76 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.81 -173.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.585 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.1 mp -91.38 127.78 36.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.61 -176.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -112.01 116.33 30.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.668 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.31 116.43 28.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.066 0.46 . . . . 0.0 111.246 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.414 ' CE2' ' HD1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -108.11 142.27 38.57 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.054 176.007 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.61 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 10.5 t-160 -91.69 120.69 32.67 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.3 t -90.25 112.42 52.55 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.277 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.452 ' HD2' ' O ' ' A' ' 67' ' ' THR . 61.4 Cg_endo -75.93 -30.73 5.64 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.906 2.404 . . . . 0.0 112.697 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -158.57 152.27 23.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.053 -176.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.458 ' HB2' ' HB ' ' A' ' 64' ' ' ILE . 34.6 p90 -140.39 139.41 35.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.332 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.538 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 18.9 t60 -91.1 119.69 31.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.302 175.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.99 -164.54 12.23 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.624 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.6 m -122.55 126.24 47.36 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.589 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -76.2 124.06 26.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.986 0.898 . . . . 0.0 111.979 -171.417 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.781 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 10.4 pt20 -135.57 167.43 21.11 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.469 -1.241 . . . . 0.0 109.327 -177.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -105.64 126.43 52.14 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.07 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.574 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 68.7 t60 -113.93 -62.67 1.56 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.49 177.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.611 ' HB2' ' CD ' ' A' ' 61' ' ' GLU . 14.3 mm-40 -81.99 -33.08 30.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.267 0.556 . . . . 0.0 109.724 177.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -87.63 171.84 10.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.455 173.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -96.48 -67.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -174.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -124.26 162.67 23.23 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.253 -0.179 . . . . 0.0 110.922 -177.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.521 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.8 mm? -120.08 138.53 53.49 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.1 p -131.42 135.43 59.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 171.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.49 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 1.4 p90 -107.41 115.06 29.49 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.505 0.669 . . . . 0.0 110.194 176.619 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.42 ' SG ' HD13 ' A' ' 24' ' ' LEU . 12.0 p -145.04 156.72 44.09 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.884 -175.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 p -72.22 160.59 82.33 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -175.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.535 ' O ' HD11 ' A' ' 127' ' ' LEU . 7.1 Cg_endo -50.15 -41.29 50.0 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 123.006 2.47 . . . . 0.0 113.239 -178.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.07 -37.76 88.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.359 . . . . 0.0 110.826 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.44 ' O ' ' HD1' ' A' ' 117' ' ' TYR . 14.0 mm-40 -72.34 -41.59 66.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.75 178.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.22 -37.75 75.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.755 -173.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.649 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -75.81 -9.91 58.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.695 0.283 . . . . 0.0 111.438 -177.143 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -95.85 1.43 53.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.141 0.496 . . . . 0.0 110.419 174.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.44 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 25.6 m-85 -91.66 158.21 40.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.269 173.13 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.512 ' HG2' ' HD1' ' A' ' 37' ' ' TRP . 42.0 Cg_endo -69.14 75.32 0.96 Allowed 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.254 1.969 . . . . 0.0 112.229 176.317 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.453 ' HB3' ' HB2' ' A' ' 123' ' ' ASP . 65.2 mt -81.06 152.59 27.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.089 176.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.542 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -69.95 158.91 86.11 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.52 177.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.464 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 14.1 Cg_endo -57.19 -15.4 18.17 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.181 2.587 . . . . 0.0 113.278 -178.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.529 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -93.05 -28.63 16.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.82 0.343 . . . . 0.0 110.807 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.542 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 2.2 m-20 -82.2 -28.33 32.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.292 -174.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.44 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 79.6 mt -60.41 -58.42 19.49 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.976 -176.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.44 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 20.2 Cg_endo -60.67 -27.91 85.64 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.557 2.171 . . . . 0.0 112.801 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 90.0 mt -70.79 -43.89 67.75 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.19 0.519 . . . . 0.0 109.869 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.649 ' HB3' HD23 ' A' ' 115' ' ' LEU . 2.8 tm? -73.55 -36.38 65.62 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.843 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -55.24 -41.8 72.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 0.0 110.833 176.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.75 -26.56 49.96 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.472 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -67.64 -44.57 77.62 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 15.6 ptp -67.15 -38.25 85.18 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -55.17 -43.73 74.58 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.145 0.498 . . . . 0.0 111.159 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 137' ' ' ARG . 2.8 mp -63.91 -33.48 75.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.644 -177.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 134' ' ' ARG . 29.4 mtp180 -93.06 -20.86 20.13 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -176.328 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -95.44 -40.48 9.46 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.384 -178.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -93.32 -38.2 11.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.295 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 133' ' ' LEU . 46.2 ttp180 65.17 104.99 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.257 0 O-C-N 123.92 0.763 . . . . 0.0 111.474 179.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -74.81 160.63 40.47 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.252 1.968 . . . . 0.0 111.789 177.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 67.67 28.7 7.26 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.731 0.644 . . . . 0.0 110.668 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.153 179.885 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.43 ' HA3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.43 ' HD3' ' HA3' ' A' ' 1' ' ' GLY . 7.9 Cg_exo -72.09 100.34 1.09 Allowed 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.554 2.17 . . . . 0.0 111.605 175.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.3 tp -83.96 100.44 11.04 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.84 156.85 10.23 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -175.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 p -71.01 -31.41 67.91 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.863 0.332 . . . . 0.0 111.57 -175.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.523 ' HB2' HD13 ' A' ' 83' ' ' ILE . 25.7 ptt? -145.91 133.25 20.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.233 0.539 . . . . 0.0 112.142 -173.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -104.91 151.2 24.16 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 168.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.1 mtp -102.97 138.2 40.16 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.797 0.808 . . . . 0.0 112.123 -175.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.677 ' HB ' HG23 ' A' ' 84' ' ' ILE . 35.2 mt -112.99 112.81 42.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 114.297 -1.32 . . . . 0.0 108.434 176.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -98.18 122.21 41.05 Favored 'General case' 0 C--N 1.31 -1.135 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.934 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.656 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 93.1 t -124.09 121.64 62.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -175.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.44 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -99.13 133.58 41.31 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.307 -179.497 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.59 126.31 54.05 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.616 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.99 119.17 38.37 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.204 0.526 . . . . 0.0 110.158 -177.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.461 HG23 ' CG2' ' A' ' 22' ' ' ILE . 5.6 mt -89.55 101.82 12.49 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.634 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 3.1 mm -83.32 107.43 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -177.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 18.0 tt0 -113.26 112.09 23.15 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.369 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.409 ' HG3' ' OD1' ' A' ' 19' ' ' ASP . 5.2 tpm_? -126.6 118.69 25.34 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' OD1' ' HG3' ' A' ' 18' ' ' ARG . 4.4 m-20 69.77 20.96 6.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.914 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.26 3.52 69.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.341 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 8.2 mttp -114.59 144.22 43.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.746 0.308 . . . . 0.0 110.857 -179.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.634 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 19.8 mt -103.55 145.11 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.537 -174.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.88 ' HG ' HD22 ' A' ' 106' ' ' LEU . 18.5 tp -86.03 110.11 19.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.977 -177.055 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.657 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 29.2 mt -103.83 135.32 45.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.943 175.01 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.707 ' HB1' ' HB3' ' A' ' 103' ' ' HIS . . . -116.32 128.7 55.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.68 0.276 . . . . 0.0 111.592 -178.058 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -69.36 99.01 1.14 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.117 176.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.423 ' HB2' ' HA ' ' A' ' 103' ' ' HIS . 16.1 tpt180 -177.48 102.53 0.22 Allowed Pre-proline 0 C--O 1.22 -0.453 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.067 178.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.649 ' HG3' HD23 ' A' ' 36' ' ' LEU . 18.9 Cg_endo -100.2 -153.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.294 0 C-N-CA 122.204 1.936 . . . . 0.0 111.358 172.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -169.19 -48.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.53 0.681 . . . . 0.0 111.176 -176.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -102.61 15.3 29.65 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.857 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -106.56 -175.22 2.73 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.643 -174.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -74.94 -5.89 46.25 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.096 0.474 . . . . 0.0 110.294 173.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.49 ' HA ' ' CG ' ' A' ' 28' ' ' PRO . 10.1 mm100 73.04 162.35 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.556 -1.202 . . . . 0.0 112.195 170.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.79 101.96 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.511 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.77 -23.3 11.97 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.324 -0.941 . . . . 0.0 113.486 174.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.649 HD23 ' HG3' ' A' ' 28' ' ' PRO . 1.5 mm? -75.49 146.4 40.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 117.584 0.692 . . . . 0.0 110.709 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.657 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 30.6 m95 -118.51 154.06 33.15 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.4 ' OE2' ' ND1' ' A' ' 103' ' ' HIS . 17.3 pt-20 -138.69 172.24 13.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.534 -176.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.561 ' HE1' HG21 ' A' ' 22' ' ' ILE . 97.7 m-85 -90.35 119.08 30.35 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 168.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.71 148.74 23.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.657 -176.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.06 -129.94 1.97 Allowed Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.496 ' HA3' ' OE2' ' A' ' 57' ' ' GLU . . . 160.21 -149.64 19.2 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.637 178.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -113.09 149.82 32.95 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.95 0.405 . . . . 0.0 110.436 -174.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.6 t -95.47 117.81 40.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.972 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.581 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 22.7 mm-40 -79.87 146.55 64.33 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 175.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.21 -5.97 10.61 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.433 2.089 . . . . 0.0 112.114 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -93.34 -16.56 24.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.361 0.6 . . . . 0.0 110.579 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.581 ' HG2' ' HB2' ' A' ' 45' ' ' GLU . 23.4 pt-20 -127.31 160.18 32.15 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.467 -172.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 m -81.56 165.4 21.17 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.908 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -63.34 -43.65 97.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.657 0.265 . . . . 0.0 111.176 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.474 ' O ' HG23 ' A' ' 55' ' ' VAL . 54.1 mtm180 -70.04 -34.01 72.69 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -66.56 -41.65 88.29 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -57.77 -51.06 71.12 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.208 177.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.715 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 20.3 mt -58.26 -46.98 85.01 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 111.176 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 51' ' ' ARG . 54.8 t -58.31 -44.02 87.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.122 -177.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.611 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 8.3 ppt_? -78.0 -40.12 40.09 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.149 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.496 ' OE2' ' HA3' ' A' ' 42' ' ' GLY . 6.5 mm-40 -57.02 -45.6 82.99 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.956 0.408 . . . . 0.0 110.852 176.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 37.9 mt -70.4 -30.71 67.67 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.252 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 59' ' ' ARG . 23.1 ttt180 -62.71 -38.21 89.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.029 0.442 . . . . 0.0 110.512 173.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.611 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 26.6 mt-10 -80.49 -43.55 20.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.58 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 5.7 mm-40 -92.12 -33.03 14.92 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -174.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.678 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 64.1 mt -114.26 4.34 15.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -174.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.41 27.92 26.7 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 114.542 0.577 . . . . 0.0 114.542 -175.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.451 HG23 ' HA ' ' A' ' 98' ' ' LEU . 46.3 pt -129.64 141.75 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-N 117.984 0.892 . . . . 0.0 111.088 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.598 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 33.7 mt-10 -93.26 96.93 10.29 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 171.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.409 ' O ' HG22 ' A' ' 55' ' ' VAL . . . -78.19 158.35 29.05 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.146 0.498 . . . . 0.0 111.373 -174.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.62 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 26.4 m -111.38 105.96 14.75 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.33 129.48 45.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -175.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.21 62.19 0.12 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 119.704 -1.236 . . . . 0.0 113.481 -176.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.596 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 12.9 pt-20 165.39 147.24 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.297 0.639 . . . . 0.0 110.299 -177.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -104.51 124.57 49.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.249 -171.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.426 HG13 ' HA ' ' A' ' 130' ' ' PHE . 91.9 t -94.5 -70.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.479 -0.489 . . . . 0.0 111.0 171.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.4 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . . . -163.34 173.5 13.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.182 178.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.8 m -136.12 148.76 48.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.127 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -139.7 133.5 30.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.008 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.518 ' HG2' ' HA ' ' A' ' 85' ' ' HIS . 24.3 mt-30 -115.27 144.51 43.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.382 0.61 . . . . 0.0 111.763 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -157.11 175.19 14.4 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -118.73 152.71 35.64 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.439 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.651 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.6 p -120.95 93.7 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 170.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.5 m 46.46 65.61 1.16 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.258 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.13 -23.19 22.31 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.972 -0.633 . . . . 0.0 113.935 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.531 ' HB2' HG13 ' A' ' 79' ' ' VAL . 48.5 mtt180 -93.64 130.06 39.7 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.194 -0.592 . . . . 0.0 110.251 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.523 HD13 ' HB2' ' A' ' 6' ' ' MET . 1.7 mp -90.06 115.78 30.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.087 0.47 . . . . 0.0 110.378 -176.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.677 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -92.19 130.59 41.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.81 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.518 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 12.4 t-80 -114.32 101.29 9.03 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.421 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.656 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.1 mp -93.29 119.29 32.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.858 0.361 . . . . 0.0 110.409 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -111.63 115.29 28.9 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.58 113.19 24.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -106.38 149.94 26.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.413 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.596 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 16.2 t-80 -103.03 134.47 46.42 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 176.28 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.518 HG21 HD13 ' A' ' 16' ' ' ILE . 16.3 m -99.76 103.43 21.76 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-O 121.219 0.533 . . . . 0.0 111.088 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.62 ' HD2' ' O ' ' A' ' 67' ' ' THR . 20.6 Cg_endo -62.29 -21.92 73.35 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 123.223 2.615 . . . . 0.0 113.039 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -158.74 172.49 18.16 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 111.147 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.59 166.12 33.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.37 178.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.598 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 17.1 t60 -126.42 119.36 27.06 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.12 -157.48 14.93 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.737 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.7 m -126.14 131.13 52.12 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.451 ' HA ' HG23 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -76.11 118.18 18.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.605 0.716 . . . . 0.0 111.456 -171.863 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.678 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 14.1 pt20 -125.68 166.3 17.02 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.613 -1.176 . . . . 0.0 108.993 -179.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.809 ' HB1' ' O ' ' A' ' 103' ' ' HIS . . . -109.52 116.1 31.15 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.204 -176.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.58 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 20.6 t-80 -91.33 -82.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.648 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.436 ' HG3' ' ND1' ' A' ' 101' ' ' HIS . 27.9 mt-10 -97.54 9.21 43.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.465 0.65 . . . . 0.0 111.54 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.809 ' O ' ' HB1' ' A' ' 100' ' ' ALA . 22.7 m-70 -120.83 105.6 10.87 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 175.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -58.67 -38.69 78.74 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -155.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.618 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -133.9 156.75 47.55 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.627 -175.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.88 HD22 ' HG ' ' A' ' 23' ' ' LEU . 68.5 mt -134.12 128.45 34.15 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.3 p -124.46 141.24 45.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 20.2 m-90 -99.0 110.09 22.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.092 0.472 . . . . 0.0 109.745 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.49 ' HB2' ' HB2' ' A' ' 113' ' ' GLU . 7.5 p -133.46 148.0 51.72 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.93 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.487 ' HB2' ' HD2' ' A' ' 111' ' ' PRO . 12.6 p -74.52 163.31 69.14 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -177.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.504 ' O ' HD11 ' A' ' 127' ' ' LEU . 3.1 Cg_endo -46.75 -43.37 23.59 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.973 2.449 . . . . 0.0 112.746 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.01 -40.61 82.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.174 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.49 ' HB2' ' HB2' ' A' ' 109' ' ' CYS . 30.4 mm-40 -70.69 -37.98 73.65 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.67 0.271 . . . . 0.0 110.877 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.87 85.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.9 -176.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.596 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -71.67 -15.98 62.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.593 -176.17 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -82.98 -11.32 58.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.005 0.431 . . . . 0.0 110.706 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -86.89 164.19 37.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.024 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.569 ' HB2' HD12 ' A' ' 36' ' ' LEU . 58.9 Cg_endo -72.53 73.26 2.86 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.349 2.033 . . . . 0.0 112.321 178.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 72.4 mt -81.4 152.84 27.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.284 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.52 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -65.71 150.2 96.51 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 174.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.69 -12.73 22.7 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.784 2.323 . . . . 0.0 113.302 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.403 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -87.24 -25.52 23.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.888 0.375 . . . . 0.0 110.311 176.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.52 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.4 m-20 -85.38 -24.1 27.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.027 -174.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.552 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 45.9 mm -60.8 -58.13 21.48 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.116 -176.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 12.1 Cg_endo -57.66 -26.16 71.37 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 122.478 2.118 . . . . 0.0 112.632 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.6 mt -73.79 -39.42 64.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.334 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.596 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.2 tm? -76.82 -38.11 54.49 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 38.0 mt-10 -51.29 -42.42 61.12 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 176.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.483 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -82.66 -19.76 37.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.566 -178.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.426 ' HA ' HG13 ' A' ' 72' ' ' VAL . 90.3 t80 -70.16 -48.65 56.43 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.3 ptm -69.31 -33.02 72.52 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.424 177.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -61.3 -44.66 96.85 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.835 0.35 . . . . 0.0 111.144 174.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 mp -66.18 -33.93 76.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.982 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -83.08 -23.68 33.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.488 -178.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.51 -35.86 14.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.879 0.371 . . . . 0.0 111.059 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -94.01 -23.02 18.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.294 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.464 ' HA ' ' HD2' ' A' ' 138' ' ' PRO . 3.2 ptp180 43.96 105.29 0.02 OUTLIER Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 124.486 1.115 . . . . 0.0 113.127 -176.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 137' ' ' ARG . 23.5 Cg_endo -56.97 129.71 35.94 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.121 2.547 . . . . 0.0 112.546 -175.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -80.5 109.76 15.32 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.713 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 31.7 t70 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.549 -0.739 . . . . 0.0 109.986 -179.754 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -80.78 -9.61 13.19 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.755 2.304 . . . . 0.0 112.412 -176.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 3' ' ' LEU . 33.3 tp -120.9 22.78 10.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.51 0.672 . . . . 0.0 109.46 178.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.16 46.73 3.57 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.347 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m -106.15 118.27 36.2 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.24 128.61 36.48 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 177.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -85.48 147.51 26.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.349 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.3 mtp -101.7 127.42 48.46 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.276 0.56 . . . . 0.0 110.035 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.801 ' HB ' HG23 ' A' ' 84' ' ' ILE . 55.1 mt -108.63 116.26 51.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.09 -176.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -94.04 122.3 36.41 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.562 ' HB ' ' HG ' ' A' ' 86' ' ' LEU . 97.1 t -124.36 136.83 59.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.407 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 2.7 m -110.59 134.99 51.05 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-O 120.951 0.405 . . . . 0.0 110.156 176.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.63 133.43 55.86 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.521 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.5 118.39 36.76 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.052 0.453 . . . . 0.0 110.663 -177.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.427 HG23 ' CG2' ' A' ' 22' ' ' ILE . 4.6 mt -95.85 99.99 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.161 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 176.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.609 HD12 HD23 ' A' ' 23' ' ' LEU . 30.3 mt -88.47 102.04 12.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.092 -176.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 19.0 tt0 -106.66 111.8 24.5 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -176.22 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -119.75 113.66 20.96 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.303 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 61.65 31.52 18.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.751 -178.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.408 ' HA2' ' NH2' ' A' ' 134' ' ' ARG . . . 89.14 9.35 67.58 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.156 -1.021 . . . . 0.0 112.874 177.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 9.6 mttp -121.3 141.08 51.26 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.623 -0.34 . . . . 0.0 110.149 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.483 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 21.6 mt -102.98 147.88 8.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -176.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.609 HD23 HD12 ' A' ' 16' ' ' ILE . 40.7 tp -90.19 121.59 32.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.27 0.557 . . . . 0.0 111.062 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.521 ' HG ' ' HE1' ' A' ' 39' ' ' PHE . 7.2 mp -112.13 136.69 51.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.085 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.83 115.46 25.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.992 0.425 . . . . 0.0 110.521 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 37' ' ' TRP . 35.7 tt0 -71.42 117.84 13.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.018 -175.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.493 ' HB2' ' HA ' ' A' ' 103' ' ' HIS . 13.8 tpp180 -176.07 108.8 0.25 Allowed Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.593 173.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.858 ' HG3' ' HA ' ' A' ' 34' ' ' ALA . 73.5 Cg_endo -77.09 -29.49 5.08 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.545 2.163 . . . . 0.0 112.04 176.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 71.44 -69.41 0.19 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.433 -1.258 . . . . 0.0 112.062 176.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -90.74 6.35 44.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.795 0.331 . . . . 0.0 111.437 -175.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.556 ' HB2' ' HB2' ' A' ' 28' ' ' PRO . 21.2 m -125.41 132.8 52.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -85.9 5.79 31.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.179 0.514 . . . . 0.0 110.907 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -78.5 -26.27 45.88 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.749 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.858 ' HA ' ' HG3' ' A' ' 28' ' ' PRO . . . 58.51 -168.27 0.14 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.834 -175.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.46 -28.72 5.63 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.883 -0.675 . . . . 0.0 113.971 174.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.535 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 5.8 mp -75.48 146.48 40.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.021 0.438 . . . . 0.0 111.476 -177.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 59.5 m95 -112.74 151.31 30.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.962 -178.078 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -140.17 150.21 43.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.105 173.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.521 ' HE1' ' HG ' ' A' ' 24' ' ' LEU . 10.1 m-30 -77.83 129.85 35.94 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 172.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.55 158.54 29.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.212 0.529 . . . . 0.0 111.868 -172.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.98 -141.84 7.26 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -177.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.25 174.82 38.05 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.701 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -78.88 151.85 31.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.9 0.381 . . . . 0.0 110.235 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.1 t -98.66 131.72 45.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.533 ' HG3' ' HD2' ' A' ' 46' ' ' PRO . 3.4 tp10 -93.64 143.14 26.09 Favored Pre-proline 0 C--N 1.316 -0.856 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 173.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.533 ' HD2' ' HG3' ' A' ' 45' ' ' GLU . 37.5 Cg_endo -66.18 14.67 0.11 Allowed 'Trans proline' 0 N--CA 1.478 0.605 0 C-N-CA 123.013 2.475 . . . . 0.0 113.513 -177.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' A' ' 45' ' ' GLU . 15.8 t70 -109.92 -15.76 14.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.357 0.598 . . . . 0.0 110.881 176.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 18.0 pt-20 -118.7 171.65 8.05 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.996 -174.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.9 t -90.26 156.89 17.97 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -65.73 -43.26 89.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.154 -175.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.452 ' HB3' ' HB ' ' A' ' 68' ' ' VAL . 42.9 mtm180 -72.34 -27.68 62.57 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.444 177.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -69.13 -38.2 78.72 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.37 -42.89 99.44 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.445 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.659 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 31.6 mt -62.69 -46.86 86.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.038 0.447 . . . . 0.0 110.815 176.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.1 t -58.96 -43.25 88.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.431 -177.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 57' ' ' GLU . 14.7 ptt85 -73.33 -44.8 58.2 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.958 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 4.9 mm-40 -61.26 -43.07 99.48 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -177.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 55.4 mt -68.21 -32.45 72.67 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.583 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -65.82 -35.46 80.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.233 0.539 . . . . 0.0 110.939 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -86.75 -34.15 19.72 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.119 -176.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.626 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 67.8 mm-40 -88.22 -52.01 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.586 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 49.9 mt -102.17 5.77 40.43 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -171.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 55.76 22.29 32.81 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 114.591 0.596 . . . . 0.0 114.591 -176.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.526 HG21 HD23 ' A' ' 98' ' ' LEU . 38.2 pt -122.93 142.12 40.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 117.91 0.855 . . . . 0.0 112.245 -177.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 29.4 mt-10 -89.68 103.3 15.96 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.623 174.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.86 153.35 18.3 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.073 0.463 . . . . 0.0 111.685 -174.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.601 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 30.3 m -114.73 104.39 11.92 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.03 174.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.579 ' HA ' HG12 ' A' ' 91' ' ' VAL . 12.0 t -85.14 126.81 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.439 -174.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -128.43 -84.96 0.45 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.096 -1.049 . . . . 0.0 113.715 -173.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.62 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 7.9 pt-20 -84.07 130.39 34.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.578 0.704 . . . . 0.0 112.061 -169.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -79.15 131.74 36.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.368 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.414 HG13 HD22 ' A' ' 133' ' ' LEU . 92.7 t -97.56 -70.45 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 120.677 0.275 . . . . 0.0 111.292 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -162.19 178.41 8.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.536 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.7 t -144.44 152.39 40.57 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -135.46 139.27 43.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.755 0.312 . . . . 0.0 110.603 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -101.16 140.36 35.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.387 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.528 ' HG3' HG13 ' A' ' 84' ' ' ILE . 5.5 ptm180 -158.41 175.48 13.65 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 174.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 6.9 pt-20 -118.73 150.41 39.82 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.062 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.674 ' HB ' HD11 ' A' ' 84' ' ' ILE . 3.2 p -120.51 94.43 3.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.432 -0.804 . . . . 0.0 108.847 170.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m 49.19 60.75 3.53 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.928 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.91 -12.28 67.94 Favored Glycine 0 CA--C 1.522 0.496 0 C-N-CA 120.653 -0.784 . . . . 0.0 114.296 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.497 ' HB2' HG13 ' A' ' 79' ' ' VAL . 83.9 mtt180 -102.95 134.28 46.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.69 0.745 . . . . 0.0 110.312 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mp -93.37 110.41 23.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.079 0.466 . . . . 0.0 110.815 -174.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.801 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -94.22 141.55 14.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.462 0.649 . . . . 0.0 111.712 -179.673 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -123.72 98.59 5.89 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.178 176.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.562 ' HG ' ' HB ' ' A' ' 11' ' ' VAL . 6.7 mp -90.09 127.67 36.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.043 -175.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -108.11 116.22 31.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.989 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.08 113.58 25.57 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.968 0.413 . . . . 0.0 110.342 177.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.75 138.66 49.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.784 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.62 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 6.6 t60 -88.4 115.76 26.14 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.579 HG12 ' HA ' ' A' ' 68' ' ' VAL . 16.2 m -94.16 108.5 36.18 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 121.082 0.467 . . . . 0.0 110.24 176.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.601 ' HD2' ' O ' ' A' ' 67' ' ' THR . 72.2 Cg_endo -77.65 -13.33 16.37 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.733 2.289 . . . . 0.0 112.681 -178.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.598 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 10.1 t70 -139.79 140.16 36.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.152 0.501 . . . . 0.0 111.058 -176.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.401 ' HB2' HD12 ' A' ' 64' ' ' ILE . 31.1 p90 -150.1 134.63 17.42 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.28 176.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.42 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 43.1 t-80 -114.49 119.35 36.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.274 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.62 -169.11 23.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.435 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 26.6 m -116.98 124.07 48.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.962 0.41 . . . . 0.0 110.419 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.526 HD23 HG21 ' A' ' 64' ' ' ILE . 4.0 mt -57.19 123.98 17.19 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.452 -177.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.586 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.9 pt20 -140.79 156.21 46.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.347 177.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.488 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -107.06 101.46 10.88 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.099 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -77.92 -72.36 0.37 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.125 0.488 . . . . 0.0 110.582 173.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.626 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 1.8 mm-40 -85.29 11.14 10.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.294 0.569 . . . . 0.0 111.283 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.493 ' HA ' ' HB2' ' A' ' 27' ' ' ARG . 73.8 m80 -129.78 172.67 11.41 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.087 -174.254 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -99.88 -75.78 0.56 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.864 0.364 . . . . 0.0 111.191 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.2 158.22 23.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.62 -177.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.488 HD13 ' HB2' ' A' ' 100' ' ' ALA . 9.1 mp -123.7 137.76 54.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.085 178.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.9 p -135.0 147.28 29.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.079 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.429 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 36.0 p90 -113.51 116.56 29.76 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.429 175.148 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 26.2 p -139.73 156.98 46.49 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.487 -176.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.518 ' OG ' ' HD2' ' A' ' 111' ' ' PRO . 8.5 t -67.51 150.68 97.73 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -177.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.566 ' O ' HD11 ' A' ' 127' ' ' LEU . 1.3 Cg_endo -46.67 -48.87 13.08 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.664 2.909 . . . . 0.0 114.208 -175.013 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.77 -30.39 67.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.738 0.304 . . . . 0.0 110.278 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.45 ' HA ' ' NE2' ' A' ' 116' ' ' GLN . 16.9 mm-40 -67.25 -39.67 86.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.021 176.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.56 88.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.583 -179.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.575 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -71.99 -12.11 61.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.046 0.451 . . . . 0.0 110.68 -176.192 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.45 ' NE2' ' HA ' ' A' ' 113' ' ' GLU . 57.0 mt-30 -82.76 -14.96 53.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.347 175.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.446 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 40.1 m-85 -89.28 165.21 27.21 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.503 -177.297 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.535 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 43.5 Cg_endo -72.2 85.92 1.0 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 122.144 1.896 . . . . 0.0 111.554 177.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 72.0 mt -96.58 153.68 17.71 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.492 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 124' ' ' ILE . . . -64.37 151.66 90.62 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.909 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.09 -17.52 38.76 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.123 2.549 . . . . 0.0 113.205 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.515 ' HB2' ' HD2' ' A' ' 77' ' ' ARG . . . -95.67 -19.34 19.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.68 0.276 . . . . 0.0 110.796 177.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -84.5 -30.88 24.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.868 -175.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.537 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 76.8 mt -63.29 -57.36 20.83 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.613 -176.133 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 12.3 Cg_endo -55.83 -30.86 78.64 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.56 2.174 . . . . 0.0 112.629 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 99.3 mt -72.25 -41.52 66.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.108 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.575 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.1 tm? -71.42 -39.4 71.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.154 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 27.2 mt-10 -53.98 -40.99 67.4 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-O 120.65 0.262 . . . . 0.0 111.013 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.23 -23.64 40.73 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.661 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.613 ' CE2' ' HD2' ' A' ' 134' ' ' ARG . 85.0 t80 -70.84 -46.44 62.71 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.146 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.4 ptm -65.52 -33.48 76.02 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.589 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.55 92.81 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.738 0.304 . . . . 0.0 111.091 173.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.414 HD22 HG13 ' A' ' 72' ' ' VAL . 3.3 mp -66.26 -40.47 90.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.43 -176.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.613 ' HD2' ' CE2' ' A' ' 130' ' ' PHE . 18.4 mtp-105 -75.22 -25.69 58.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.545 0.212 . . . . 0.0 111.341 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -87.22 -36.17 18.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.754 0.311 . . . . 0.0 111.266 -176.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -94.43 -31.73 13.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.903 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 70.96 117.87 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.284 0 O-C-N 124.104 0.878 . . . . 0.0 111.25 -177.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.09 154.55 52.42 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.68 2.253 . . . . 0.0 112.15 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.54 -36.52 84.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.069 0.462 . . . . 0.0 110.739 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.431 -0.795 . . . . 0.0 109.842 177.171 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.904 0 N-CA-C 111.746 -0.541 . . . . 0.0 111.746 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.78 -51.36 6.09 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.839 2.36 . . . . 0.0 112.256 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 mp -96.19 90.58 5.55 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.98 27.67 1.0 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.01 -175.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 p -82.41 -26.46 32.78 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.76 0.79 . . . . 0.0 109.57 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.613 ' HB3' HD13 ' A' ' 83' ' ' ILE . 57.9 mtm -90.77 130.4 36.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.921 176.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -100.2 142.98 30.94 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.2 mtp -104.5 126.41 51.57 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.646 0.736 . . . . 0.0 111.693 -175.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.555 ' HB ' HG23 ' A' ' 84' ' ' ILE . 26.1 mt -107.29 120.74 59.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.819 178.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -100.01 123.92 44.79 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -177.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 96.6 t -125.82 125.12 67.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.351 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.4 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 6.1 m -101.5 133.38 45.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.271 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.52 129.76 56.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.003 -179.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.601 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -103.05 113.88 27.71 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.053 0.454 . . . . 0.0 110.359 -177.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.535 HG23 HG23 ' A' ' 22' ' ' ILE . 5.7 mt -91.5 101.13 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.7 HG13 HD23 ' A' ' 23' ' ' LEU . 1.3 mm -85.83 102.02 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -179.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.607 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . 4.5 tm-20 -123.27 122.16 37.66 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.456 -175.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.988 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -151.69 146.57 25.88 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.175 -0.92 . . . . 0.0 108.969 175.548 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 73.72 0.98 3.8 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.787 0.679 . . . . 0.0 110.525 -176.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.19 6.11 55.76 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -176.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.56 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 24.8 mttt -121.17 147.15 45.98 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -175.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.555 HG21 ' HE1' ' A' ' 39' ' ' PHE . 8.8 mt -104.8 147.76 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.628 -177.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.862 HD11 ' HG ' ' A' ' 106' ' ' LEU . 40.2 tp -86.72 123.29 31.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.572 -178.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.617 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 58.5 mt -117.09 154.9 30.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.05 173.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.512 ' HA ' ' O ' ' A' ' 105' ' ' ALA . . . -131.01 123.2 28.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.994 0.426 . . . . 0.0 111.567 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.578 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 0.5 OUTLIER -88.35 101.37 13.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.535 178.57 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.92 ' HB3' ' HA ' ' A' ' 103' ' ' HIS . 0.5 OUTLIER 164.15 110.28 0.02 OUTLIER Pre-proline 0 N--CA 1.47 0.529 0 O-C-N 124.177 0.923 . . . . 0.0 110.218 172.315 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -85.19 -150.63 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.477 2.118 . . . . 0.0 110.677 175.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -145.1 -67.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.102 0.477 . . . . 0.0 111.238 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -104.29 17.6 23.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.415 -175.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.429 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 7.1 m -89.36 -23.69 22.15 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.961 -178.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 61.63 24.3 14.43 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.608 -177.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 31' ' ' SER . 63.0 mt-30 -121.8 179.39 4.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.326 -177.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.1 148.46 27.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.966 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.05 -25.06 11.83 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.537 -0.84 . . . . 0.0 112.793 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.597 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 6.3 mp -77.8 151.38 34.01 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.804 0.335 . . . . 0.0 111.38 -178.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.617 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 13.2 m95 -122.22 159.2 27.78 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 177.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.441 ' OE2' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -152.44 -178.08 6.61 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 178.543 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.555 ' HE1' HG21 ' A' ' 22' ' ' ILE . 98.8 m-85 -90.99 127.85 36.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 175.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.33 155.98 30.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 155.41 -130.52 2.82 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -177.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.02 178.6 32.21 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.54 177.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -79.87 151.8 29.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.39 -0.405 . . . . 0.0 110.113 178.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.0 t -99.14 128.39 50.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -177.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.555 ' HG3' ' HD2' ' A' ' 46' ' ' PRO . 4.0 tp10 -100.45 145.17 29.84 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 175.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.555 ' HD2' ' HG3' ' A' ' 45' ' ' GLU . 9.4 Cg_endo -52.8 -20.36 12.76 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.045 2.496 . . . . 0.0 113.173 -178.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -72.58 -20.61 61.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.774 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.406 ' OE1' ' HA ' ' A' ' 53' ' ' ALA . 12.5 pt-20 -126.98 152.11 47.64 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.113 0.483 . . . . 0.0 110.944 -174.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.4 t -83.82 169.25 15.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.652 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.437 ' HB3' ' HH2' ' A' ' 89' ' ' TRP . 96.0 mt-30 -59.05 -51.81 68.46 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -175.158 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.463 ' O ' HG23 ' A' ' 55' ' ' VAL . 59.5 mtt180 -72.98 -30.9 64.17 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -64.64 -38.95 92.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.749 -179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.406 ' HA ' ' OE1' ' A' ' 48' ' ' GLU . . . -58.49 -51.83 68.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.484 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.722 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 22.7 mt -59.87 -47.44 85.74 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 120.709 0.29 . . . . 0.0 111.144 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 51' ' ' ARG . 86.4 t -59.03 -46.43 91.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.883 -177.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.571 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 5.3 ppt_? -74.31 -39.69 62.72 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.211 -177.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.407 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 5.1 mm-40 -60.95 -46.59 90.08 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.596 0.236 . . . . 0.0 111.25 177.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.722 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 32.6 mt -66.51 -32.97 74.67 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.08 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -60.62 -34.58 74.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.162 174.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 28.4 mt-10 -87.08 -37.05 17.77 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -178.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.587 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 2.1 mt-10 -89.35 -52.55 4.98 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.752 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.674 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 43.2 mt -97.64 4.14 50.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -171.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 45.21 37.48 5.97 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 114.635 0.614 . . . . 0.0 114.635 -175.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.461 HG12 ' HB2' ' A' ' 62' ' ' LEU . 36.0 pt -129.87 144.38 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 117.839 0.819 . . . . 0.0 111.792 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.475 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 7.6 mm-40 -89.35 93.4 9.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.848 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.93 157.11 22.04 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.478 -174.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.575 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 38.1 m -119.46 103.93 9.89 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.219 176.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.4 t -76.06 117.22 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.635 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.509 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . -162.76 62.73 0.26 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 119.847 -1.168 . . . . 0.0 113.973 -172.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.509 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 11.9 pt-20 158.46 148.03 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.208 1.003 . . . . 0.0 109.546 173.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.624 ' HA ' ' HD1' ' A' ' 89' ' ' TRP . 0.2 OUTLIER -104.26 127.51 51.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.268 -173.758 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.432 ' HB ' ' O ' ' A' ' 88' ' ' ALA . 85.5 t -97.81 -70.02 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.952 172.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -163.95 165.25 22.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 111.722 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 72.3 m -131.21 145.08 51.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.181 174.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -131.6 140.82 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.329 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -110.0 146.77 34.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.223 0.535 . . . . 0.0 111.283 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.483 ' HG3' HG13 ' A' ' 84' ' ' ILE . 15.2 ptt180 -158.55 174.19 15.46 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 172.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 6.7 pt-20 -118.8 151.52 37.9 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 119.245 -0.982 . . . . 0.0 111.716 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.593 ' HB ' HD11 ' A' ' 84' ' ' ILE . 3.8 p -126.33 94.92 2.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.678 172.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.2 m 53.06 66.88 1.1 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.784 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.19 17.25 71.89 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 116.089 -0.505 . . . . 0.0 113.916 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 78' ' ' GLU . 91.3 mtt180 -127.97 131.24 49.28 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.613 HD13 ' HB3' ' A' ' 6' ' ' MET . 1.7 mp -94.13 114.84 31.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.066 0.46 . . . . 0.0 110.389 -173.06 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.593 HD11 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -89.09 131.24 36.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.382 178.123 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -116.57 96.86 5.7 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.943 -176.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.593 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.2 mp -88.93 128.82 35.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 -176.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -109.24 112.98 25.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.668 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.432 ' O ' ' HB ' ' A' ' 72' ' ' VAL . . . -93.75 107.04 18.97 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.023 0.44 . . . . 0.0 110.372 177.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.624 ' HD1' ' HA ' ' A' ' 71' ' ' TYR . 7.6 m0 -111.05 150.4 29.39 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.41 177.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.607 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 39.6 t-80 -95.65 130.85 42.4 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.673 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.5 t -91.22 104.32 9.45 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.015 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.575 ' HD2' ' O ' ' A' ' 67' ' ' THR . 61.3 Cg_endo -75.45 -27.48 9.28 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.806 2.338 . . . . 0.0 112.627 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -153.18 141.93 21.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.683 -176.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -146.07 142.59 28.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.85 0.357 . . . . 0.0 110.587 178.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 76.7 t60 -103.84 121.83 43.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 126.07 -166.25 18.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.861 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 26.0 m -117.95 120.09 36.78 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.889 HD23 ' H ' ' A' ' 98' ' ' LEU . 1.3 pt? -72.5 119.2 16.38 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.962 -174.277 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.674 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.0 pt20 -123.3 169.15 11.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.576 -176.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.533 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -113.94 104.53 12.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.816 0.341 . . . . 0.0 110.41 177.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -89.98 -69.09 0.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.222 -178.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.587 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 60.9 mm-40 -77.19 -36.99 54.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.218 0.532 . . . . 0.0 109.878 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.92 ' HA ' ' HB3' ' A' ' 27' ' ' ARG . 2.8 m80 -86.96 156.86 19.62 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 174.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.513 ' H ' ' HB2' ' A' ' 27' ' ' ARG . 48.8 tt0 -95.83 -47.8 6.0 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -168.209 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.512 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -115.67 147.71 40.54 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.674 -178.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.862 ' HG ' HD11 ' A' ' 23' ' ' LEU . 2.5 tp -131.73 122.06 25.26 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -178.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.4 p -131.54 148.91 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.821 0.343 . . . . 0.0 111.591 -172.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.504 ' CZ2' HD11 ' A' ' 98' ' ' LEU . 10.8 m-90 -105.59 115.13 29.73 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 172.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.7 p -125.26 150.63 46.89 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.302 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.493 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 24.5 m -66.71 157.38 83.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.41 ' O ' HD11 ' A' ' 127' ' ' LEU . 2.5 Cg_endo -46.69 -52.67 7.18 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.969 2.446 . . . . 0.0 112.992 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.07 -28.5 68.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.75 0.31 . . . . 0.0 111.188 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.493 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 16.4 mm-40 -67.13 -41.33 86.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.317 178.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.04 -41.63 83.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.195 -174.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.598 HD23 HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -73.15 -11.85 60.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.645 0.259 . . . . 0.0 111.329 -177.48 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -87.67 -8.26 56.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.206 0.527 . . . . 0.0 110.382 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.412 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 7.9 m-85 -88.68 154.69 50.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.612 178.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.597 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 37.0 Cg_endo -66.86 79.86 0.36 Allowed 'Trans proline' 0 CA--C 1.529 0.249 0 C-N-CA 122.365 2.043 . . . . 0.0 112.15 177.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 123' ' ' ASP . 84.3 mt -89.38 153.73 20.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.273 178.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.568 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -72.65 160.06 83.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.577 177.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.527 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 18.9 Cg_endo -59.9 -13.03 20.76 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.227 2.618 . . . . 0.0 113.46 -177.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.502 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -93.01 -30.14 15.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.752 0.311 . . . . 0.0 110.659 178.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.568 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 3.8 m-20 -79.48 -29.24 41.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.874 -175.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.459 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 82.6 mt -60.01 -59.97 12.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.962 -176.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.459 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 15.9 Cg_endo -57.98 -26.57 75.47 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.428 2.085 . . . . 0.0 112.839 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.9 mt -75.23 -42.61 55.0 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.833 0.349 . . . . 0.0 110.317 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.598 HD12 HD23 ' A' ' 115' ' ' LEU . 2.8 tm? -73.58 -37.59 65.44 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -51.67 -42.15 61.91 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.739 0.304 . . . . 0.0 110.483 176.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.449 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -82.69 -21.66 34.79 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.447 ' HB3' HD22 ' A' ' 127' ' ' LEU . 85.9 t80 -70.52 -45.94 64.59 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 178.328 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.2 ptm -69.4 -33.12 72.54 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.57 175.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -60.56 -44.33 96.27 Favored 'General case' 0 C--N 1.338 0.085 0 CA-C-O 120.869 0.366 . . . . 0.0 111.384 174.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.476 ' O ' ' HD2' ' A' ' 137' ' ' ARG . 1.5 mp -62.51 -32.84 73.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.389 -176.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 134' ' ' ARG . 29.3 mtp180 -93.71 -17.4 23.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.496 -176.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.48 -39.02 12.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.055 0.455 . . . . 0.0 110.429 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -90.92 -41.76 10.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.322 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.476 ' HD2' ' O ' ' A' ' 133' ' ' LEU . 10.4 mmm180 63.19 99.66 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.352 0 O-C-N 123.996 0.81 . . . . 0.0 111.381 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.32 138.47 86.38 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.986 2.458 . . . . 0.0 112.509 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -94.27 -4.47 48.75 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.726 -178.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 . . . . . 0 C--O 1.247 0.972 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.726 179.59 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.418 ' HA2' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.817 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.418 ' HD2' ' HA2' ' A' ' 1' ' ' GLY . 10.3 Cg_endo -51.89 -61.4 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.458 2.772 . . . . 0.0 113.416 -175.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 24.8 tp -86.97 32.21 0.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.421 0.629 . . . . 0.0 110.675 -176.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.03 6.33 87.37 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.882 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 m -73.43 93.65 1.99 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.97 0.414 . . . . 0.0 110.756 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.515 ' HB3' HD13 ' A' ' 83' ' ' ILE . 56.9 mtt -90.05 118.34 29.53 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 176.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -95.0 141.3 28.82 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.1 mtt -99.75 130.83 46.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.55 0.691 . . . . 0.0 111.333 -177.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.587 ' HB ' HG23 ' A' ' 84' ' ' ILE . 23.3 mt -106.45 109.93 29.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 114.724 -1.125 . . . . 0.0 108.251 176.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -96.27 125.17 40.6 Favored 'General case' 0 C--N 1.305 -1.345 0 C-N-CA 120.394 -0.523 . . . . 0.0 109.75 -175.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.62 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 89.8 t -125.29 128.62 72.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -178.286 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.414 HG12 ' HB2' ' A' ' 87' ' ' HIS . 2.5 m -100.0 133.25 43.6 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.48 133.19 55.35 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.604 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.67 115.85 31.4 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.128 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.447 HG23 ' CG2' ' A' ' 22' ' ' ILE . 4.8 mt -93.68 98.89 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 174.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.563 HD12 HD23 ' A' ' 23' ' ' LEU . 46.9 mt -91.5 104.12 15.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -176.14 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.566 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 43.5 tt0 -109.27 112.2 24.21 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.003 -174.056 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.432 ' NH1' ' HA ' ' A' ' 93' ' ' ASP . 6.7 tpt180 -123.64 121.97 36.94 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.417 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 68.68 14.33 8.99 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.828 0.705 . . . . 0.0 111.275 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.93 2.89 58.2 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.395 -0.907 . . . . 0.0 112.326 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 9.4 mttp -113.34 150.06 33.12 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.536 ' O ' ' HA ' ' A' ' 108' ' ' TRP . 17.3 mt -104.18 148.48 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -177.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.563 HD23 HD12 ' A' ' 16' ' ' ILE . 42.9 tp -89.1 119.61 29.76 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.145 0.498 . . . . 0.0 111.365 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.668 HD22 ' HE3' ' A' ' 37' ' ' TRP . 7.0 mp -115.24 147.62 40.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.119 177.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.41 116.77 26.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.931 0.396 . . . . 0.0 111.312 -178.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.27 101.84 5.61 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.198 179.218 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.782 ' HD2' ' HD2' ' A' ' 28' ' ' PRO . 22.6 tpt180 157.79 120.52 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.49 0 O-C-N 124.76 1.287 . . . . 0.0 109.133 177.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.782 ' HD2' ' HD2' ' A' ' 27' ' ' ARG . 45.3 Cg_endo -85.11 -146.94 0.03 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.722 2.281 . . . . 0.0 111.275 175.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.8 -55.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 111.607 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -89.16 -17.15 29.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.045 0.45 . . . . 0.0 110.283 -177.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.9 m -90.12 140.85 29.26 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.506 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -88.84 -27.03 21.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.486 0.66 . . . . 0.0 109.557 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -63.86 132.14 49.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.294 178.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.43 164.7 11.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.602 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.6 -26.18 9.74 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.669 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.469 ' HA ' ' HG2' ' A' ' 118' ' ' PRO . 11.4 mt -75.6 145.85 40.83 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.86 0.362 . . . . 0.0 111.138 178.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.668 ' HE3' HD22 ' A' ' 24' ' ' LEU . 27.7 m0 -108.59 147.75 31.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.815 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.533 ' OE1' ' HA ' ' A' ' 28' ' ' PRO . 9.5 pt-20 -146.91 159.89 42.99 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -79.72 153.54 29.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.798 0.332 . . . . 0.0 110.421 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.46 160.8 23.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.756 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.13 -139.61 7.04 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -178.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.88 177.04 37.77 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.317 -0.944 . . . . 0.0 112.884 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -77.9 152.12 33.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.014 0.435 . . . . 0.0 110.562 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -98.7 120.43 48.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -86.08 157.68 56.56 Favored Pre-proline 0 C--N 1.319 -0.737 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -74.5 3.32 5.44 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.416 2.077 . . . . 0.0 112.127 -174.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -101.73 -7.77 22.32 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.06 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -131.74 170.02 15.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.498 0.666 . . . . 0.0 112.362 -170.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.0 m -96.81 162.03 13.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.142 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -57.0 -55.22 37.5 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.817 0.341 . . . . 0.0 111.142 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.448 ' O ' HG23 ' A' ' 55' ' ' VAL . 49.7 mtt180 -65.55 -31.68 72.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.143 0.497 . . . . 0.0 110.171 -179.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -70.08 -39.95 75.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.313 -176.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.67 96.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.649 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.604 HD22 ' HB2' ' A' ' 14' ' ' ALA . 38.7 mt -62.72 -46.67 87.03 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 111.141 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 51' ' ' ARG . 53.1 t -59.51 -42.28 87.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.344 -177.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.585 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 11.9 ptt85 -76.39 -42.86 42.99 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.286 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.498 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 5.6 mm-40 -58.48 -49.88 75.76 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.7 0.286 . . . . 0.0 111.08 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.596 ' HG ' HD12 ' A' ' 62' ' ' LEU . 9.9 mp -62.33 -32.71 73.51 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.296 176.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -63.86 -37.79 88.68 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.73 174.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 29.2 mt-10 -80.3 -45.47 17.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.971 -178.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.59 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 67.1 mm-40 -84.64 -51.75 6.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.524 -176.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.742 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 63.9 mt -100.17 7.28 44.64 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.709 -172.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 45.46 34.6 4.96 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 115.007 0.763 . . . . 0.0 115.007 -175.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.516 HG23 ' O ' ' A' ' 62' ' ' LEU . 47.8 pt -124.91 146.48 30.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 117.859 0.83 . . . . 0.0 112.014 -178.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 31.8 mt-10 -90.09 93.39 9.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.497 -0.774 . . . . 0.0 108.969 172.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.67 149.12 28.67 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.151 0.5 . . . . 0.0 111.612 -176.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.702 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 40.5 m -112.51 104.11 12.21 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.046 175.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.447 ' HB ' ' HB3' ' A' ' 51' ' ' ARG . 49.5 t -88.15 122.26 39.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.863 -176.01 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.479 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . -167.52 76.71 0.12 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 119.755 -1.212 . . . . 0.0 114.152 -175.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.656 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 12.2 pt-20 146.95 119.39 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.559 1.544 . . . . 0.0 109.324 172.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.43 131.5 35.6 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.1 -176.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.5 t -97.07 -69.95 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.338 176.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.69 171.47 20.26 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.85 0.357 . . . . 0.0 111.321 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.7 p -136.67 147.32 46.76 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 176.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -139.52 147.21 40.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.859 0.361 . . . . 0.0 110.51 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.412 ' HG3' ' HD2' ' A' ' 85' ' ' HIS . 35.3 mt-30 -112.56 141.69 46.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.226 176.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.609 ' HD3' ' HB2' ' A' ' 122' ' ' ALA . 18.4 ptt180 -148.16 170.61 17.46 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 173.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -119.91 149.42 42.12 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 119.374 -0.931 . . . . 0.0 111.626 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.658 ' HB ' HD11 ' A' ' 84' ' ' ILE . 3.2 p -126.22 96.22 3.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.502 173.201 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 m 51.12 65.47 1.47 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.67 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.84 14.34 70.24 Favored Glycine 0 CA--C 1.521 0.427 0 CA-C-N 116.249 -0.432 . . . . 0.0 113.989 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.509 ' HB2' HG13 ' A' ' 79' ' ' VAL . 85.7 mtt180 -119.09 133.01 56.05 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 175.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.515 HD13 ' HB3' ' A' ' 6' ' ' MET . 1.9 mp -95.06 109.99 23.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.159 0.504 . . . . 0.0 110.575 -173.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.658 HD11 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -86.49 129.8 37.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.163 179.769 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.412 ' HD2' ' HG3' ' A' ' 76' ' ' GLN . 9.6 t-160 -119.16 97.98 5.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.808 -175.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.62 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.2 mp -87.31 132.41 33.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.592 -175.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.414 ' HB2' HG12 ' A' ' 12' ' ' VAL . 48.6 m-70 -113.53 112.72 24.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.73 176.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.5 ' HB2' ' CD2' ' A' ' 126' ' ' LEU . . . -90.14 110.47 21.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.129 0.49 . . . . 0.0 110.895 179.271 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.427 ' HB3' HG13 ' A' ' 68' ' ' VAL . 82.8 m95 -108.09 136.72 47.3 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.626 176.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.656 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 45.9 t-80 -84.9 125.66 32.83 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.47 ' HB ' ' HA ' ' A' ' 16' ' ' ILE . 61.8 t -91.43 101.69 4.65 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.634 175.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.702 ' HD2' ' O ' ' A' ' 67' ' ' THR . 55.5 Cg_endo -71.68 -22.62 23.85 Favored 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 122.816 2.344 . . . . 0.0 112.436 -179.328 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 38.7 t70 -158.05 148.68 20.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.983 0.421 . . . . 0.0 111.505 -178.077 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -143.72 145.45 32.43 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 37.3 t-80 -109.81 120.31 42.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.684 0.278 . . . . 0.0 110.559 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 130.48 -165.64 22.63 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.202 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 89.7 m -122.17 129.32 52.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.015 0.436 . . . . 0.0 110.697 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.511 ' HB3' HD23 ' A' ' 106' ' ' LEU . 18.6 mt -59.54 129.34 41.5 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.946 -1.024 . . . . 0.0 112.007 -176.18 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.742 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 9.7 pt20 -140.27 155.78 46.73 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.342 175.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.58 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -111.47 124.14 51.66 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.638 0.256 . . . . 0.0 111.488 177.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -98.0 -66.55 0.89 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.065 0.459 . . . . 0.0 110.292 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.59 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 12.4 mm-40 -76.89 -29.66 55.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.052 177.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.557 ' HA ' ' CB ' ' A' ' 27' ' ' ARG . 53.6 m-70 -96.96 163.82 12.79 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.672 -175.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -94.78 -64.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.985 0.421 . . . . 0.0 111.023 -175.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.32 149.04 28.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.792 -175.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.58 HD13 ' HB2' ' A' ' 100' ' ' ALA . 1.4 tp -123.64 125.15 44.3 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.4 p -137.76 128.72 38.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.389 0.614 . . . . 0.0 111.457 -173.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.536 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 23.1 p90 -94.78 125.38 39.4 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.317 172.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.558 ' SG ' HD13 ' A' ' 24' ' ' LEU . 26.0 p -144.11 157.97 44.0 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.692 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.491 ' HB2' ' HG3' ' A' ' 113' ' ' GLU . 5.6 m -71.38 155.12 93.19 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -175.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.536 ' O ' HD11 ' A' ' 127' ' ' LEU . 48.7 Cg_exo -47.25 -49.74 12.38 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.06 2.506 . . . . 0.0 113.079 -178.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 1.6 pm0 -65.87 -36.31 83.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.959 -177.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.491 ' HG3' ' HB2' ' A' ' 110' ' ' SER . 28.7 mt-10 -67.14 -38.65 85.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.979 0.418 . . . . 0.0 110.153 177.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.25 90.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.726 -176.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.622 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -71.36 -16.07 62.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.711 0.291 . . . . 0.0 111.232 -175.501 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 112' ' ' GLU . 52.4 mt-30 -79.92 -8.13 59.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.022 0.439 . . . . 0.0 110.879 177.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.524 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 32.2 m-85 -100.81 165.71 13.78 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.765 -178.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.524 ' HD2' ' HB3' ' A' ' 117' ' ' TYR . 55.8 Cg_endo -70.29 76.82 1.32 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.524 2.149 . . . . 0.0 112.705 -178.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.434 HD21 HD23 ' A' ' 24' ' ' LEU . 41.9 mt -86.48 152.76 22.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.2 176.095 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.516 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -68.12 155.2 92.64 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.659 178.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.432 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 17.7 Cg_endo -59.37 -13.96 22.77 Favored 'Trans proline' 0 CA--C 1.534 0.502 0 C-N-CA 123.197 2.598 . . . . 0.0 114.214 -174.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.609 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -98.18 -25.52 14.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.017 -0.427 . . . . 0.0 111.068 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.516 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 2.0 m-20 -78.27 -26.25 47.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.854 -178.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.468 HG23 HD11 ' A' ' 115' ' ' LEU . 80.3 mt -62.94 -59.03 13.6 Favored Pre-proline 0 CA--C 1.537 0.468 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.33 -179.019 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.46 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 10.4 Cg_endo -55.49 -32.12 81.14 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.85 2.367 . . . . 0.0 112.904 179.145 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.5 ' CD2' ' HB2' ' A' ' 88' ' ' ALA . 5.0 mp -73.73 -45.31 52.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.991 0.424 . . . . 0.0 110.506 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.622 ' HB3' HD23 ' A' ' 115' ' ' LEU . 2.9 tm? -69.83 -38.45 76.53 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.808 178.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -49.99 -44.79 51.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.345 176.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.468 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -80.91 -20.68 41.59 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.574 -179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -74.1 -47.36 36.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.8 ptm -68.16 -32.64 73.05 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.618 174.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.468 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -59.22 -40.13 84.86 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.124 0.488 . . . . 0.0 110.766 172.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 mp -67.65 -35.28 78.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.543 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -81.26 -17.89 47.88 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -86.41 -35.39 19.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.129 0.49 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -94.79 -34.74 12.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.334 178.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 56.66 88.91 0.11 Allowed Pre-proline 0 N--CA 1.463 0.212 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.723 -178.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -58.38 106.83 0.29 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.989 2.459 . . . . 0.0 112.016 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -125.43 5.71 7.65 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.366 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 36.5 t70 . . . . . 0 C--O 1.247 0.952 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.296 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 111.679 -0.568 . . . . 0.0 111.679 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.68 149.23 54.49 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.531 2.154 . . . . 0.0 110.86 174.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.6 tp -70.64 -43.89 68.27 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.45 96.82 0.71 Allowed Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.526 176.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -57.0 -50.06 73.88 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 122.079 0.152 . . . . 0.0 111.0 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 61.7 mtt 66.23 103.76 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.935 0.772 . . . . 0.0 111.007 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -88.74 140.84 29.03 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.8 mtp -94.45 127.87 40.64 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.41 0.624 . . . . 0.0 110.755 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.642 ' HB ' HG23 ' A' ' 84' ' ' ILE . 40.4 mt -108.42 104.81 17.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.261 178.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -97.59 118.71 34.71 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -174.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.588 ' HB ' ' HG ' ' A' ' 86' ' ' LEU . 93.9 t -118.03 141.23 38.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.649 -174.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.06 132.05 62.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.059 0.457 . . . . 0.0 110.713 177.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.62 126.66 55.6 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.299 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.625 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.82 109.57 21.19 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.136 0.493 . . . . 0.0 109.981 -178.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.489 HG23 HG23 ' A' ' 22' ' ' ILE . 7.6 mt -92.52 105.02 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.062 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.133 178.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.733 HG13 HD23 ' A' ' 23' ' ' LEU . 2.7 mm -82.3 102.13 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.612 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . 3.2 tm-20 -116.85 117.1 28.8 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.171 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.417 ' HG3' ' OD2' ' A' ' 19' ' ' ASP . 25.3 tpt180 -136.61 127.69 27.84 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.306 -177.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.417 ' OD2' ' HG3' ' A' ' 18' ' ' ARG . 41.7 m-20 66.9 17.59 10.54 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.491 0.494 . . . . 0.0 111.208 178.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.24 4.82 66.16 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.996 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 12.5 mmtp -115.71 141.05 48.6 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -178.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.489 HG23 HG23 ' A' ' 15' ' ' ILE . 49.0 mt -103.63 144.65 13.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.932 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.733 HD23 HG13 ' A' ' 16' ' ' ILE . 50.7 tp -83.4 109.69 17.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.654 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.49 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 7.3 mp -98.71 127.81 44.76 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 175.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.08 112.9 20.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.675 0.274 . . . . 0.0 110.541 -177.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.589 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 48.3 tt0 -70.26 108.44 4.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.895 -175.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.645 ' HG2' ' H ' ' A' ' 29' ' ' ALA . 23.8 ttt180 162.96 114.35 0.01 OUTLIER Pre-proline 0 N--CA 1.469 0.522 0 O-C-N 124.368 1.042 . . . . 0.0 110.719 168.177 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' A' ' 27' ' ' ARG . 24.4 Cg_endo -63.66 -17.62 60.72 Favored 'Trans proline' 0 CA--C 1.516 -0.387 0 C-N-CA 123.035 2.49 . . . . 0.0 111.383 173.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.645 ' H ' ' HG2' ' A' ' 27' ' ' ARG . . . 80.41 -75.51 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 113.358 -1.746 . . . . 0.0 111.83 173.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -85.75 2.85 43.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.053 0.454 . . . . 0.0 111.376 -175.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.544 ' OG ' ' HG2' ' A' ' 33' ' ' GLN . 27.6 t -104.27 152.57 22.05 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 175.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -85.89 -7.72 58.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.567 -175.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.544 ' HG2' ' OG ' ' A' ' 31' ' ' SER . 12.1 pt20 -89.49 162.86 15.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.614 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -141.19 -174.28 3.97 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.525 178.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.96 -27.8 18.24 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.315 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.512 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 26.4 mt -77.92 154.08 31.98 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 122.566 0.346 . . . . 0.0 110.666 177.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.615 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 73.0 m95 -113.52 140.91 47.74 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 175.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 37.8 mp0 -141.82 166.17 25.46 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -177.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.467 ' HE1' HG21 ' A' ' 22' ' ' ILE . 60.6 m-85 -82.89 159.86 22.26 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.36 175.91 7.14 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.35 -135.41 6.83 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.6 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.538 ' O ' HG13 ' A' ' 11' ' ' VAL . . . 170.29 -145.23 8.96 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.196 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -124.84 152.59 43.76 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -175.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.9 t -95.59 113.82 30.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.0 -175.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.488 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 34.7 mm-40 -82.29 141.15 45.82 Favored Pre-proline 0 N--CA 1.442 -0.847 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 175.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -50.74 -37.07 53.45 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.804 2.336 . . . . 0.0 112.537 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -78.57 -2.48 39.06 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -176.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.488 ' HG2' ' HB2' ' A' ' 45' ' ' GLU . 12.6 pt-20 -129.5 173.99 10.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.121 0.486 . . . . 0.0 111.471 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 t -105.44 164.28 11.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.921 -175.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -60.11 -55.12 37.77 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.338 -178.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.495 ' O ' HG23 ' A' ' 55' ' ' VAL . 58.4 mtt180 -61.63 -32.8 72.96 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-O 120.877 0.37 . . . . 0.0 110.171 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -70.74 -46.14 63.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.275 -177.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.492 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -59.24 -46.31 88.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.747 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.725 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 27.2 mt -61.19 -45.23 95.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.206 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 51' ' ' ARG . 46.8 t -61.72 -45.45 98.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.026 -177.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -71.28 -39.65 71.38 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.078 -176.528 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.6 -46.65 81.77 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.725 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 26.5 mt -66.08 -33.99 77.04 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.57 -178.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -56.88 -34.22 67.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.95 0.405 . . . . 0.0 110.718 174.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -89.66 -43.03 11.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.933 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.591 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 69.7 mm-40 -89.71 -38.36 13.91 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -173.028 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.461 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 57.3 mt -101.54 -19.82 15.33 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.633 -175.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.54 15.29 71.43 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.075 -1.059 . . . . 0.0 111.917 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.462 HD12 ' CB ' ' A' ' 94' ' ' PHE . 45.4 pt -123.21 144.14 33.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.856 0.36 . . . . 0.0 111.177 -177.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -86.56 99.72 11.89 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 171.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.415 ' CB ' HD12 ' A' ' 58' ' ' LEU . . . -84.97 148.14 26.36 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.308 0.575 . . . . 0.0 111.971 -172.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.661 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 40.7 m -111.75 106.17 14.87 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.013 174.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.5 t -92.71 124.43 45.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -177.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.446 ' HA2' ' NH1' ' A' ' 51' ' ' ARG . . . -171.41 68.24 0.13 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 119.852 -1.166 . . . . 0.0 113.969 -176.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.536 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 10.6 pt-20 157.65 104.31 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.82 1.248 . . . . 0.0 109.278 177.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.516 ' OH ' ' HB3' ' A' ' 74' ' ' SER . 9.4 t80 -79.94 129.55 34.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.976 -176.05 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.565 HG11 ' HD1' ' A' ' 130' ' ' PHE . 75.7 t -100.05 -69.76 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -177.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.564 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . . . -137.21 -177.89 4.97 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -172.368 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.516 ' HB3' ' OH ' ' A' ' 71' ' ' TYR . 24.8 p -162.97 136.74 6.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.078 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -135.53 130.35 34.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.822 0.344 . . . . 0.0 110.196 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -108.33 136.16 48.43 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.159 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.621 ' HG3' HG13 ' A' ' 84' ' ' ILE . 9.3 ptm180 -153.66 176.71 11.78 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 178.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -117.04 151.95 35.68 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.765 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.633 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.7 p -127.22 95.06 2.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 171.191 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.2 t 50.81 63.71 2.12 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.053 -177.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.66 -19.68 18.8 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 121.148 -0.549 . . . . 0.0 114.395 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -97.27 133.49 41.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.514 0.657 . . . . 0.0 110.834 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.9 mp -90.45 115.18 29.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.776 0.322 . . . . 0.0 110.845 -173.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.642 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -92.06 135.0 28.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.187 0.517 . . . . 0.0 110.465 176.459 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -125.62 98.73 5.69 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.734 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.588 ' HG ' ' HB ' ' A' ' 11' ' ' VAL . 6.3 mp -88.04 133.48 33.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.566 -176.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.497 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . 39.9 m80 -112.25 113.98 26.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.721 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.99 109.69 20.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.762 0.315 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -107.7 147.23 31.02 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.622 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.612 ' NE2' ' HB3' ' A' ' 17' ' ' GLU . 9.7 t-160 -102.4 127.81 49.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 173.088 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.454 HG21 HD13 ' A' ' 16' ' ' ILE . 12.4 m -92.71 104.37 11.28 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-O 121.222 0.534 . . . . 0.0 110.225 174.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.661 ' HD2' ' O ' ' A' ' 67' ' ' THR . 59.0 Cg_endo -72.18 -8.89 23.63 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 123.09 2.527 . . . . 0.0 112.733 -179.069 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.415 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 20.5 t70 -157.62 145.24 18.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.902 0.382 . . . . 0.0 110.997 -178.622 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.462 ' CB ' HD12 ' A' ' 64' ' ' ILE . 38.6 p90 -151.11 144.94 25.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.233 174.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -111.69 124.16 51.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.547 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.32 -160.01 18.92 Favored Glycine 0 N--CA 1.453 -0.198 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.5 m -122.42 125.73 46.47 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.46 122.07 23.27 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.697 0.761 . . . . 0.0 110.727 -175.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 29.8 pt20 -140.86 166.84 23.68 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.869 -176.335 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -101.92 110.49 22.48 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.262 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.591 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 34.2 t-80 -83.92 -65.25 1.03 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.46 ' O ' ' HD2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -84.33 -36.4 22.58 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.487 178.773 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -75.12 175.04 8.6 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.427 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -95.52 -73.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.549 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -120.24 163.02 18.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.472 0.177 . . . . 0.0 111.194 -176.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.472 ' HB3' HD11 ' A' ' 23' ' ' LEU . 2.3 mm? -122.16 137.97 54.64 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.9 p -134.99 130.58 52.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.084 0.469 . . . . 0.0 110.249 172.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.457 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 15.8 p90 -99.43 121.06 40.6 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.465 0.65 . . . . 0.0 110.557 177.045 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 39.3 m -145.33 156.88 44.06 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.551 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.408 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 22.9 m -66.51 155.84 87.56 Favored Pre-proline 0 C--N 1.315 -0.893 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -177.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.583 ' O ' HD11 ' A' ' 127' ' ' LEU . 5.8 Cg_endo -49.92 -42.26 45.35 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.006 2.471 . . . . 0.0 112.903 -178.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -66.96 -33.09 74.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.798 0.332 . . . . 0.0 111.064 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.408 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 7.0 mm-40 -72.77 -40.76 65.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.703 176.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.82 -38.67 75.99 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.365 -173.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.649 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -71.66 -12.93 61.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.877 0.37 . . . . 0.0 110.868 -175.537 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -86.26 -8.7 57.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.151 0.5 . . . . 0.0 110.373 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.478 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 38.6 m-85 -89.01 165.97 24.25 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.805 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.478 ' HD2' ' HB3' ' A' ' 117' ' ' TYR . 72.3 Cg_endo -73.77 73.37 3.59 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.121 1.88 . . . . 0.0 111.803 176.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.615 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 77.9 mt -80.81 150.89 29.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.251 178.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.561 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -59.8 152.46 58.42 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 177.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.4 -11.74 24.25 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.052 2.502 . . . . 0.0 113.275 -177.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.477 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -95.49 -26.05 15.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.034 0.445 . . . . 0.0 109.905 176.068 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.561 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.0 OUTLIER -82.75 -26.32 32.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.206 -174.261 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.441 ' HB ' ' HD3' ' A' ' 125' ' ' PRO . 73.3 mt -62.15 -57.27 24.4 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.853 -177.093 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.441 ' HD3' ' HB ' ' A' ' 124' ' ' ILE . 29.5 Cg_endo -63.35 -21.88 71.68 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.28 1.987 . . . . 0.0 112.747 179.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 84.7 mt -77.14 -42.81 36.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.874 0.369 . . . . 0.0 110.142 177.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.649 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.2 tm? -70.33 -36.29 74.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.552 178.102 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -47.9 -45.66 30.93 Favored 'General case' 0 N--CA 1.458 -0.067 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.046 175.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.608 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -83.93 -14.73 50.23 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.565 ' HD1' HG11 ' A' ' 72' ' ' VAL . 57.8 t80 -75.46 -46.74 30.73 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.7 ptm -70.02 -34.82 73.77 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.872 174.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.608 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -60.01 -41.29 91.81 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 120.669 0.271 . . . . 0.0 111.022 172.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 129' ' ' ALA . 1.4 tp -67.31 -33.59 75.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.929 -177.449 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 37.1 mtp85 -87.06 -9.92 54.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.751 0.31 . . . . 0.0 111.316 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -96.19 -39.46 9.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.107 0.48 . . . . 0.0 110.345 175.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -84.95 -24.84 28.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.451 178.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 137' ' ' ARG . 43.6 ttp180 73.41 122.32 0.03 OUTLIER Pre-proline 0 C--O 1.232 0.17 0 O-C-N 124.183 0.927 . . . . 0.0 111.083 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.07 115.02 3.06 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.88 2.387 . . . . 0.0 112.455 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -137.79 11.6 2.91 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.421 176.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 C--O 1.25 1.115 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.71 -176.736 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.403 ' HA3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 111.661 -0.576 . . . . 0.0 111.661 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.403 ' HD3' ' HA3' ' A' ' 1' ' ' GLY . 2.1 Cg_endo -82.06 100.8 1.09 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 123.101 2.534 . . . . 0.0 111.525 176.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.3 tp 68.07 110.78 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.249 0.619 . . . . 0.0 111.708 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.41 178.05 32.55 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 173.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 t -67.83 -29.62 68.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 117.111 0.455 . . . . 0.0 110.087 178.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.519 ' HA ' ' CE ' ' A' ' 6' ' ' MET . 9.9 mmt 68.5 -174.03 0.19 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.387 176.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -119.99 148.13 43.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.825 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.1 mtp -102.28 137.03 41.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.094 175.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.754 ' HB ' HG23 ' A' ' 84' ' ' ILE . 58.4 mt -111.88 122.55 66.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.26 -178.209 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -99.44 121.1 40.66 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.626 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 97.2 t -124.92 120.52 58.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -178.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.421 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 1.6 m -98.93 134.05 39.24 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.404 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.96 131.76 56.8 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.034 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.567 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.62 120.93 41.41 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.107 0.48 . . . . 0.0 110.403 -177.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.469 HG23 ' CG2' ' A' ' 22' ' ' ILE . 5.2 mt -94.18 99.58 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 175.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.711 HG13 HD23 ' A' ' 23' ' ' LEU . 2.2 mm -87.59 110.39 20.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -176.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -104.88 119.59 39.36 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.668 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.476 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -142.2 138.96 31.86 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 175.843 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.44 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 18.3 t70 79.21 -22.05 0.3 Allowed 'General case' 0 N--CA 1.474 0.757 0 O-C-N 123.956 0.785 . . . . 0.0 110.712 -175.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.21 3.78 29.37 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 -165.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -109.51 161.3 15.47 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.419 -0.891 . . . . 0.0 109.609 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.469 ' CG2' HG23 ' A' ' 15' ' ' ILE . 13.0 mt -105.81 147.04 11.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.711 HD23 HG13 ' A' ' 16' ' ' ILE . 55.2 tp -87.39 116.99 25.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.335 -178.35 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 mp -111.52 134.96 52.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.953 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.75 121.2 43.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.289 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 37' ' ' TRP . 34.9 tt0 -68.14 117.72 10.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.284 0.564 . . . . 0.0 112.272 -176.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -175.12 133.56 0.48 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 114.3 -1.318 . . . . 0.0 108.632 175.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.578 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 87.7 Cg_endo -87.07 -25.95 0.97 Allowed 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.196 1.931 . . . . 0.0 112.698 176.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 67.9 -79.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.796 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -95.0 -21.98 18.24 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.442 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.578 ' HB2' ' HB2' ' A' ' 28' ' ' PRO . 58.5 m -78.49 147.56 33.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.072 177.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -99.31 4.1 46.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.189 0.519 . . . . 0.0 110.568 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -78.97 -38.71 36.25 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.759 -173.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.568 ' HA ' ' HG3' ' A' ' 28' ' ' PRO . . . 65.49 172.74 0.22 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.624 -172.102 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.44 -14.16 42.24 Favored Glycine 0 CA--C 1.516 0.121 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.805 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.613 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 5.9 mp -77.34 155.76 31.74 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 123.001 0.521 . . . . 0.0 110.748 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 62.2 m95 -114.76 145.42 42.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.244 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -133.42 156.85 46.95 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -82.71 122.35 28.05 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 175.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.87 146.38 32.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.229 -176.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.7 -137.09 4.32 Favored Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 -176.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.22 -152.33 20.94 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.603 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -114.03 151.77 31.95 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -176.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.7 t -98.25 118.72 45.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.123 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.33 143.63 45.23 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 175.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.84 -6.04 4.26 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.964 2.442 . . . . 0.0 114.006 -173.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -115.94 12.62 15.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.855 0.359 . . . . 0.0 111.435 -177.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -135.34 158.73 43.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.979 173.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.8 m -85.24 160.03 19.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.082 -177.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -57.22 -42.67 81.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.873 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.453 ' O ' HG23 ' A' ' 55' ' ' VAL . 53.0 mtt180 -69.92 -35.51 74.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.274 178.315 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -68.09 -43.05 79.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.845 -175.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.43 88.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.797 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.71 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 22.8 mt -59.42 -47.14 86.62 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.745 0.307 . . . . 0.0 110.671 176.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 51' ' ' ARG . 53.7 t -59.21 -44.48 92.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.177 -176.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.429 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 4.3 ppt_? -76.32 -42.22 45.85 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.311 -178.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.84 -44.14 97.44 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.251 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.71 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 54.3 mt -66.49 -34.69 78.49 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.909 178.21 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 59' ' ' ARG . 22.6 ttt85 -61.51 -34.41 75.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.122 176.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 21.4 mt-10 -87.85 -39.85 14.48 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.511 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.592 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 54.3 mm-40 -82.19 -51.43 7.96 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.652 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 50.8 mt -97.11 -21.56 17.28 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.75 -175.244 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . 81.51 28.1 44.94 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.036 -1.078 . . . . 0.0 110.935 176.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.471 HG12 ' HB2' ' A' ' 62' ' ' LEU . 33.3 pt -125.91 146.0 32.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.369 0.604 . . . . 0.0 111.289 -177.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.576 ' HB2' ' HB2' ' A' ' 95' ' ' HIS . 60.2 mt-10 -91.71 93.28 8.81 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 173.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.18 154.1 24.43 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.798 -173.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.498 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 79.7 m -113.92 103.74 11.47 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.533 176.398 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.404 HG13 ' HB3' ' A' ' 89' ' ' TRP . 48.8 t -80.66 126.41 39.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.182 -178.355 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -121.03 -87.86 0.98 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.341 -0.933 . . . . 0.0 113.144 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.63 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 6.7 pt-20 -94.69 137.54 33.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.585 0.707 . . . . 0.0 112.452 -173.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -79.81 131.31 35.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.942 177.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 67.7 t -93.45 -70.15 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.801 0.334 . . . . 0.0 111.442 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.93 169.06 25.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.99 0.424 . . . . 0.0 111.304 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.0 p -134.44 146.46 49.83 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.168 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -133.78 133.76 42.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.901 -179.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -101.91 141.04 35.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.195 0.521 . . . . 0.0 110.859 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -152.79 173.68 15.0 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 175.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -121.0 150.81 40.56 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 119.341 -0.944 . . . . 0.0 111.201 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.669 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.6 p -117.99 93.55 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.782 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 171.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.8 m 45.5 71.12 0.3 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.21 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.18 -23.3 8.3 Favored Glycine 0 CA--C 1.522 0.496 0 CA-C-N 116.11 -0.496 . . . . 0.0 114.293 177.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.502 ' HB2' HG13 ' A' ' 79' ' ' VAL . 84.5 mtt180 -93.9 134.31 36.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.566 0.683 . . . . 0.0 110.016 -179.036 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.0 mp -93.35 114.65 30.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.841 0.353 . . . . 0.0 110.574 -173.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.754 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -93.19 137.72 21.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.385 0.612 . . . . 0.0 111.053 179.903 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -119.39 99.85 6.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.182 -0.917 . . . . 0.0 108.956 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.626 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 5.8 mp -89.36 129.34 35.91 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.327 -178.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -112.91 112.97 24.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.818 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.442 ' HB2' HD13 ' A' ' 126' ' ' LEU . . . -90.05 110.23 21.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.968 0.413 . . . . 0.0 110.332 177.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.404 ' HB3' HG13 ' A' ' 68' ' ' VAL . 86.9 m95 -105.34 136.84 44.13 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.149 178.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.63 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 19.9 t-160 -85.17 114.22 22.12 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.5 t -95.62 102.5 10.26 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 87.3 Cg_endo -85.73 -10.91 7.08 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.784 2.323 . . . . 0.0 112.869 -175.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -155.87 144.49 20.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.361 . . . . 0.0 110.914 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -146.75 149.35 33.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.101 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.576 ' HB2' ' HB2' ' A' ' 65' ' ' GLU . 92.4 m-70 -107.04 128.64 54.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.449 177.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.09 -162.03 12.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.684 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.7 m -130.41 142.34 50.51 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.528 HD13 ' H ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -78.91 132.78 36.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.62 0.724 . . . . 0.0 111.504 -173.468 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.652 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 25.2 pt20 -130.11 158.71 38.91 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.592 176.381 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -106.24 99.58 9.16 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.47 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.437 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 51.8 t-80 -77.71 -70.49 0.47 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.041 178.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.592 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 13.8 mt-10 -85.97 1.77 48.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.318 0.58 . . . . 0.0 110.612 177.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -115.79 174.21 6.14 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.706 -175.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -98.11 -54.35 3.1 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.862 -178.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.63 169.56 18.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.488 0.185 . . . . 0.0 111.429 -176.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -120.72 138.82 53.78 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.72 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.7 p -134.03 145.12 33.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.873 0.368 . . . . 0.0 110.623 174.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 22.7 m-90 -106.63 117.93 35.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.001 175.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.561 ' HB2' ' HB2' ' A' ' 113' ' ' GLU . 18.3 p -136.73 155.69 49.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.722 176.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.508 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 13.7 m -71.8 162.16 74.76 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.236 -176.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.508 ' HD2' ' HB3' ' A' ' 110' ' ' SER . 12.7 Cg_endo -56.38 -19.34 28.17 Favored 'Trans proline' 0 N--CA 1.48 0.72 0 C-N-CA 123.182 2.588 . . . . 0.0 113.152 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -89.13 -37.83 14.78 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.831 177.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.561 ' HB2' ' HB2' ' A' ' 109' ' ' CYS . 8.2 mm-40 -70.2 -38.78 75.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.022 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.26 -38.62 71.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.919 -175.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.631 HD23 HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -77.3 -11.64 59.86 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.112 -176.751 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -84.9 -11.42 55.63 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.051 0.453 . . . . 0.0 110.638 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.45 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 27.0 m-85 -86.9 155.71 55.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.568 178.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.613 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 56.6 Cg_endo -70.35 80.28 1.06 Allowed 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.059 1.84 . . . . 0.0 111.685 177.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 65.3 mt -85.59 152.52 23.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.192 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.57 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -66.14 156.74 83.68 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.569 178.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.41 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 13.6 Cg_endo -57.07 -16.37 20.92 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.227 2.618 . . . . 0.0 113.762 -177.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.508 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -95.59 -23.91 16.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.857 0.361 . . . . 0.0 111.02 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.57 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.6 m-20 -81.8 -26.04 34.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.795 -175.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.698 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 74.3 mt -63.85 -60.11 9.82 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.807 -176.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.488 ' HA ' ' OE1' ' A' ' 128' ' ' GLU . 10.9 Cg_endo -54.09 -33.94 75.93 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 122.807 2.338 . . . . 0.0 112.953 -179.034 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' A' ' 88' ' ' ALA . 89.1 mt -72.02 -40.65 68.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.808 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.631 HD12 HD23 ' A' ' 115' ' ' LEU . 2.6 tm? -72.88 -37.24 67.39 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -178.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.698 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 42.5 mt-10 -51.19 -43.4 61.33 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.885 177.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.405 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -78.61 -25.15 45.1 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.641 -178.201 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.481 ' O ' ' HG3' ' A' ' 134' ' ' ARG . 72.7 t80 -70.94 -45.48 64.1 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.8 ptm -69.18 -34.33 74.77 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.002 175.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -56.93 -44.83 82.85 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.988 0.423 . . . . 0.0 110.931 173.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.43 -35.06 79.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.248 -177.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 130' ' ' PHE . 49.6 mtp85 -79.84 -23.13 42.19 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.9 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -84.23 -37.52 21.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.42 -177.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -105.66 -10.43 16.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.543 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 36.83 82.38 0.23 Allowed Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 124.324 1.05 . . . . 0.0 112.863 -176.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -83.73 155.01 13.58 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.854 2.369 . . . . 0.0 112.84 -178.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -110.6 5.75 21.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.668 0.747 . . . . 0.0 109.365 175.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 C--O 1.246 0.907 0 CA-C-N 114.845 -1.071 . . . . 0.0 109.963 -178.243 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.467 ' HA3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 111.836 -0.505 . . . . 0.0 111.836 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.467 ' HD3' ' HA3' ' A' ' 1' ' ' GLY . 5.7 Cg_endo -85.03 88.59 0.91 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.939 2.426 . . . . 0.0 112.103 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.5 mt -96.19 80.65 3.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.135 0.493 . . . . 0.0 110.696 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.26 -82.57 0.68 Allowed Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 176.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -157.58 153.21 26.52 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 175.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.526 ' HB3' HD13 ' A' ' 83' ' ' ILE . 55.2 mtm -75.81 118.24 18.4 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.553 -177.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -89.92 157.89 17.66 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.446 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 67.5 mtt -112.96 141.64 46.57 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.446 0.641 . . . . 0.0 111.3 -176.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.803 ' HB ' HG23 ' A' ' 84' ' ' ILE . 37.4 mt -113.1 124.42 69.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 114.782 -1.099 . . . . 0.0 108.496 178.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -98.24 124.83 43.05 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -175.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 84.1 t -131.82 136.93 56.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.491 HG12 ' HB2' ' A' ' 87' ' ' HIS . 2.8 m -110.05 138.75 36.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-O 120.965 0.412 . . . . 0.0 110.481 177.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.85 130.98 56.05 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.486 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.557 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.64 114.78 29.3 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.051 0.453 . . . . 0.0 110.071 -178.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.564 HG23 HG23 ' A' ' 22' ' ' ILE . 7.3 mt -90.94 99.63 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.609 HG13 HD23 ' A' ' 23' ' ' LEU . 2.1 mm -81.12 102.05 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 -179.024 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 37.2 tt0 -110.93 119.18 38.22 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.23 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.532 HH12 ' HA ' ' A' ' 93' ' ' ASP . 5.2 tpt180 -137.16 125.28 22.98 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.503 177.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 72.17 7.63 5.77 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.79 0.681 . . . . 0.0 111.841 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.63 10.6 46.66 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.168 -1.015 . . . . 0.0 111.522 -176.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 7.9 mttt -121.52 144.76 48.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 110.467 179.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.564 HG23 HG23 ' A' ' 15' ' ' ILE . 28.3 mt -104.82 150.16 7.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.317 -177.206 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.609 HD23 HG13 ' A' ' 16' ' ' ILE . 35.4 tp -89.87 122.45 32.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.236 0.541 . . . . 0.0 111.231 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.433 HD13 ' SG ' ' A' ' 109' ' ' CYS . 6.1 mp -117.18 138.52 51.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.892 177.23 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.04 121.35 38.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.023 0.44 . . . . 0.0 111.489 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.533 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 53.7 tt0 -79.29 98.21 6.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.116 -178.132 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.554 ' HD3' ' O ' ' A' ' 28' ' ' PRO . 1.4 tmt_? 161.17 106.28 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.394 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.269 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.617 ' HA ' ' OE1' ' A' ' 38' ' ' GLU . 40.9 Cg_endo -85.44 -151.67 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.228 1.952 . . . . 0.0 110.795 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.31 -75.58 0.47 Allowed 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.395 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -100.72 16.01 26.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.706 -173.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 32' ' ' ASP . 5.3 m -89.78 -17.71 27.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.836 -177.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.425 ' HB3' ' O ' ' A' ' 31' ' ' SER . 14.3 t70 71.36 -59.19 0.55 Allowed 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.739 0.649 . . . . 0.0 111.563 -179.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 31' ' ' SER . 7.5 pt20 -60.72 146.52 45.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.352 177.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -111.33 -178.28 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.718 -177.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.68 -19.93 41.78 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.485 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.585 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 6.7 mp -78.93 151.72 31.54 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.136 0.493 . . . . 0.0 111.197 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.446 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 39.3 m95 -110.72 147.13 35.03 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.221 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.617 ' OE1' ' HA ' ' A' ' 28' ' ' PRO . 11.3 pt-20 -136.3 163.6 30.05 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.553 0.216 . . . . 0.0 110.464 177.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.565 ' HZ ' HD23 ' A' ' 127' ' ' LEU . 96.5 m-85 -80.77 118.39 22.26 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 174.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.06 144.09 30.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.225 -177.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.05 -137.75 4.72 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.531 ' HA3' ' HG3' ' A' ' 57' ' ' GLU . . . 172.86 169.7 35.73 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.15 -1.024 . . . . 0.0 113.143 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -78.02 146.28 35.45 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.414 -0.393 . . . . 0.0 110.326 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.6 t -98.85 125.44 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.154 -175.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -88.79 145.72 35.47 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.71 1.16 2.39 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.548 2.165 . . . . 0.0 112.846 -176.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -106.56 -3.12 21.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.956 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -131.03 170.87 13.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.117 0.484 . . . . 0.0 111.569 -178.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.2 t -93.12 155.67 17.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.662 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -60.31 -49.35 77.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.857 0.361 . . . . 0.0 110.712 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 55' ' ' VAL . 73.5 mtt180 -62.36 -38.68 90.47 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.176 0.513 . . . . 0.0 110.199 176.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -67.95 -40.05 83.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.381 -174.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.93 94.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.332 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.681 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 28.6 mt -60.23 -47.06 87.55 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.899 0.381 . . . . 0.0 110.773 176.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 51' ' ' ARG . 69.6 t -60.1 -46.93 93.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.335 -177.096 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -70.92 -39.85 72.46 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.203 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.531 ' HG3' ' HA3' ' A' ' 42' ' ' GLY . 5.1 mm-40 -63.55 -44.58 93.74 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 177.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 39.7 mt -66.31 -31.81 72.84 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.46 -178.436 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -62.82 -31.89 72.97 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.846 174.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -86.69 -39.85 15.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.225 -178.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.654 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 70.7 mm-40 -92.12 -43.49 9.34 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -176.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.684 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 65.7 mt -106.06 4.57 29.4 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.647 -173.183 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.28 25.5 26.27 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 114.765 0.666 . . . . 0.0 114.765 -178.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.4 pt -127.35 145.38 34.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 117.98 0.89 . . . . 0.0 111.988 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 35.4 mt-10 -93.67 95.07 8.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.123 -0.944 . . . . 0.0 108.626 174.095 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.22 156.97 22.89 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.221 0.534 . . . . 0.0 111.682 -174.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.49 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 55.2 m -114.46 104.02 11.62 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.172 175.296 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.454 ' HB ' ' HB3' ' A' ' 51' ' ' ARG . 41.4 t -82.95 132.44 31.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.04 -176.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -137.03 -76.8 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.359 -0.924 . . . . 0.0 113.459 -175.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.637 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 15.7 pt-20 -91.06 131.6 36.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.443 0.64 . . . . 0.0 111.835 -172.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.627 ' HE1' ' HB3' ' A' ' 87' ' ' HIS . 11.7 t80 -83.16 134.25 34.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.795 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.479 HG13 HD22 ' A' ' 133' ' ' LEU . 97.0 t -95.17 -69.84 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.708 0.29 . . . . 0.0 111.253 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -158.43 175.26 13.93 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.46 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.8 154.08 51.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.473 176.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -143.8 144.58 31.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.73 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.504 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 75.0 mt-30 -113.16 135.15 54.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.138 0.494 . . . . 0.0 111.08 177.166 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.715 ' HD3' ' HB2' ' A' ' 122' ' ' ALA . 23.3 ptt180 -138.29 158.36 44.44 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 8.3 pt-20 -104.04 138.04 41.14 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 119.53 -0.868 . . . . 0.0 111.402 -176.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.705 ' HB ' HD11 ' A' ' 84' ' ' ILE . 3.3 p -119.7 95.58 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.641 174.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.9 m 47.41 68.41 0.65 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.864 -178.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 81.59 -14.71 28.69 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 121.009 -0.615 . . . . 0.0 114.553 178.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.552 ' HB2' HG13 ' A' ' 79' ' ' VAL . 89.0 mtt180 -102.28 148.83 24.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.635 0.717 . . . . 0.0 110.075 -178.356 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.526 HD13 ' HB3' ' A' ' 6' ' ' MET . 2.0 mp -104.56 115.75 47.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 120.781 0.324 . . . . 0.0 110.388 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.803 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -90.55 138.55 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.061 0.458 . . . . 0.0 110.29 177.871 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -117.61 100.75 7.84 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.62 -177.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 8.1 mp -88.8 129.96 35.46 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.812 0.339 . . . . 0.0 110.692 -177.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.627 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . 84.3 m-70 -111.46 112.91 24.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.786 178.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.79 117.25 29.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.754 0.311 . . . . 0.0 110.612 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -110.56 141.29 43.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.247 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.637 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 31.3 t-80 -85.99 123.04 30.87 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.9 t -90.02 106.55 14.92 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.812 0.339 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 71.7 Cg_endo -76.75 -27.55 7.19 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.924 2.416 . . . . 0.0 112.578 -177.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.532 ' HA ' HH12 ' A' ' 18' ' ' ARG . 5.1 t70 -159.95 154.62 24.2 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.667 0.27 . . . . 0.0 111.125 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -147.13 142.91 27.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.443 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 41.4 t60 -98.74 120.44 39.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.842 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.13 -159.71 18.74 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.506 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 32.1 m -121.86 126.96 49.91 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.68 HD23 ' H ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -77.6 120.85 23.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.274 0.559 . . . . 0.0 111.033 -172.38 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.684 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 27.8 pt20 -128.2 170.85 12.52 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.235 -177.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.579 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -114.08 117.53 31.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.862 0.363 . . . . 0.0 111.338 178.184 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.654 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 29.9 t-80 -90.49 -77.47 0.4 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.888 -179.053 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.64 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 18.4 mm-40 -83.87 -21.11 32.09 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.433 0.635 . . . . 0.0 110.635 -179.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.539 ' HA ' ' CB ' ' A' ' 27' ' ' ARG . 66.9 m80 -89.67 142.01 28.08 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.263 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -77.43 -56.89 4.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.885 0.374 . . . . 0.0 111.663 -171.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -118.33 154.75 31.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.987 -176.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.579 HD13 ' HB2' ' A' ' 100' ' ' ALA . 1.6 tp -131.55 126.03 33.82 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.77 145.07 35.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.97 0.414 . . . . 0.0 110.637 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.475 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 38.3 p90 -113.3 117.03 30.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.425 0.631 . . . . 0.0 109.452 173.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.433 ' SG ' HD13 ' A' ' 24' ' ' LEU . 24.6 p -137.46 156.86 47.66 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.318 -176.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.529 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 5.1 m -64.64 155.18 82.74 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -177.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.468 ' O ' HD11 ' A' ' 127' ' ' LEU . 3.1 Cg_endo -46.56 -50.63 10.14 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.244 2.63 . . . . 0.0 113.397 -177.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.14 -24.84 62.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.756 0.312 . . . . 0.0 111.372 -176.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.529 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 25.0 mm-40 -73.79 -37.3 65.0 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.242 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.77 -34.95 68.1 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.862 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.692 ' HG ' HD12 ' A' ' 127' ' ' LEU . 14.1 mt -76.47 -11.65 59.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.546 -178.435 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -85.97 -4.94 59.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.275 0.559 . . . . 0.0 109.977 176.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -94.08 160.12 32.85 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.287 176.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.585 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 59.6 Cg_endo -73.14 78.1 2.29 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.827 1.685 . . . . 0.0 111.838 175.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.501 HD12 HD23 ' A' ' 115' ' ' LEU . 71.6 mt -82.74 153.6 25.22 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.307 177.356 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.632 ' HB1' ' HD2' ' A' ' 121' ' ' PRO . . . -63.37 160.65 39.89 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.632 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 10.3 Cg_endo -51.8 -37.28 65.28 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.554 2.836 . . . . 0.0 114.19 -173.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.715 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -92.61 -13.88 28.98 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.87 -177.132 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.56 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.0 OUTLIER -78.93 -27.11 43.66 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.169 -175.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.65 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 41.5 mm -62.28 -61.97 6.65 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.989 176.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.569 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 10.9 Cg_endo -55.64 -31.9 81.32 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 122.936 2.424 . . . . 0.0 113.348 178.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 70.7 mt -67.59 -40.01 84.8 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-O 121.066 0.46 . . . . 0.0 110.136 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.692 HD12 ' HG ' ' A' ' 115' ' ' LEU . 2.0 tm? -73.72 -37.39 65.15 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.457 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.65 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 36.4 mt-10 -57.39 -40.43 78.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.704 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.39 -26.0 51.38 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.395 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -69.91 -45.49 67.44 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.1 ptm -68.93 -33.4 73.66 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.731 175.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.33 -43.22 88.15 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-O 120.901 0.381 . . . . 0.0 110.952 171.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.561 ' HG ' ' HG3' ' A' ' 138' ' ' PRO . 2.7 mp -64.2 -42.49 96.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.685 -179.143 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -73.13 -21.88 60.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.804 -178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -92.16 -39.71 11.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.643 0.259 . . . . 0.0 111.599 -177.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -89.52 -31.45 17.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.157 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 64.05 101.76 0.04 OUTLIER Pre-proline 0 N--CA 1.465 0.292 0 O-C-N 124.069 0.856 . . . . 0.0 112.011 -178.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.561 ' HG3' ' HG ' ' A' ' 133' ' ' LEU . 73.8 Cg_endo -79.23 132.02 10.06 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 122.121 1.88 . . . . 0.0 111.321 174.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -75.19 -43.91 49.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.206 0.526 . . . . 0.0 110.067 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 30.0 t70 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.787 177.469 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.421 ' HA2' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.888 -0.485 . . . . 0.0 111.888 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.421 ' HD3' ' HA2' ' A' ' 1' ' ' GLY . 4.3 Cg_exo -78.04 25.02 0.52 Allowed 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 123.379 2.719 . . . . 0.0 112.921 -177.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 98.6 mt -79.91 82.41 6.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.233 0.54 . . . . 0.0 110.461 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.06 47.99 0.52 Allowed Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.219 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 p -68.82 -60.94 2.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.078 0.466 . . . . 0.0 111.458 -177.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.8 mmt -93.94 -177.92 4.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.683 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -118.13 142.28 47.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.14 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.8 mtm -100.4 139.31 36.27 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.33 0.586 . . . . 0.0 110.337 173.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.804 ' HB ' HG23 ' A' ' 84' ' ' ILE . 35.0 mt -104.78 114.54 44.66 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 176.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -88.75 126.7 35.45 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -174.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.695 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 87.2 t -130.37 117.35 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.04 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.548 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 3.4 m -97.99 132.72 42.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.498 -178.373 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.48 126.76 53.84 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -177.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.652 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.04 113.59 26.96 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.258 0.551 . . . . 0.0 109.732 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.503 HG23 HG23 ' A' ' 22' ' ' ILE . 7.5 mt -86.4 102.22 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.742 HG13 HD23 ' A' ' 23' ' ' LEU . 2.3 mm -81.37 100.8 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -177.142 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.699 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . 4.4 tt0 -112.16 108.72 18.08 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 18' ' ' ARG . 4.3 tpt180 -130.72 130.48 43.87 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.067 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 64.0 17.27 10.49 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.629 0.581 . . . . 0.0 110.974 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.26 4.25 66.64 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.702 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 6.3 mmtt -112.4 143.69 43.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.979 0.389 . . . . 0.0 110.48 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.566 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 43.9 mt -104.46 146.33 11.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.863 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.742 HD23 HG13 ' A' ' 16' ' ' ILE . 63.1 tp -89.8 121.62 32.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.227 0.537 . . . . 0.0 111.627 -178.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.505 HD23 HD21 ' A' ' 119' ' ' LEU . 3.7 mp -112.3 138.78 48.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.109 174.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.06 121.32 31.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.029 0.443 . . . . 0.0 111.574 -176.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 29.6 tt0 -76.04 100.64 4.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.465 -177.069 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.59 ' HB3' ' CD2' ' A' ' 103' ' ' HIS . 1.9 tmt_? 159.33 115.64 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.489 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.545 ' HA ' ' OE1' ' A' ' 38' ' ' GLU . 44.5 Cg_endo -85.39 -151.0 0.04 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 122.151 1.901 . . . . 0.0 111.659 -172.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.46 -89.98 0.27 Allowed 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.532 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -116.87 13.67 15.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.97 0.414 . . . . 0.0 110.41 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.2 m -65.25 -29.98 70.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.592 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 64.12 27.67 14.1 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -177.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -115.77 126.11 53.61 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.501 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.02 142.46 28.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.583 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.65 -27.81 9.02 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.962 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.5 mt -80.09 154.13 28.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.906 0.384 . . . . 0.0 110.758 177.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.641 ' HD1' ' HG2' ' A' ' 118' ' ' PRO . 34.2 m95 -118.95 149.84 40.93 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.545 ' OE1' ' HA ' ' A' ' 28' ' ' PRO . 46.4 mt-10 -145.21 165.7 27.59 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 174.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.417 ' HE1' HG21 ' A' ' 22' ' ' ILE . 65.5 m-85 -73.04 143.48 47.48 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 177.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.01 153.25 42.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.901 0.382 . . . . 0.0 110.539 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 155.49 -134.0 3.99 Favored Glycine 0 N--CA 1.44 -1.037 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -175.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.511 ' HA3' ' OE2' ' A' ' 57' ' ' GLU . . . 163.71 -154.8 25.87 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 119.745 -1.216 . . . . 0.0 113.445 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.511 ' HE3' HG23 ' A' ' 9' ' ' ILE . 84.4 tttt -105.9 148.69 27.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.829 0.347 . . . . 0.0 110.606 -172.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.2 t -105.95 110.59 31.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -93.53 152.85 41.23 Favored Pre-proline 0 C--N 1.315 -0.923 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -67.94 19.73 0.13 Allowed 'Trans proline' 0 N--CA 1.478 0.562 0 C-N-CA 123.28 2.654 . . . . 0.0 114.724 -167.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -119.25 -3.94 10.51 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.925 0.393 . . . . 0.0 110.804 175.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -126.79 165.14 19.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.226 0.536 . . . . 0.0 111.742 -177.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.444 ' HB3' ' HB3' ' A' ' 52' ' ' GLN . 31.5 t -88.06 154.93 20.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.534 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -60.32 -47.59 85.36 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.816 0.341 . . . . 0.0 110.865 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.548 ' O ' HG23 ' A' ' 55' ' ' VAL . 86.1 mtm180 -66.46 -41.61 88.81 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 120.998 0.427 . . . . 0.0 109.884 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.444 ' HB3' ' HB3' ' A' ' 49' ' ' SER . 5.6 tt0 -69.2 -32.23 71.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.217 -175.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -59.8 -48.64 80.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.062 176.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.692 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.8 mt -62.24 -45.99 90.84 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.017 0.437 . . . . 0.0 110.392 177.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 51' ' ' ARG . 76.3 t -56.97 -46.57 83.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.928 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.611 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.8 ppt_? -76.03 -40.41 53.54 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.49 -177.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.511 ' OE2' ' HA3' ' A' ' 42' ' ' GLY . 7.3 mm-40 -59.48 -45.77 90.7 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.633 0.254 . . . . 0.0 111.353 178.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 23.6 mt -68.64 -33.89 74.78 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 121.194 0.521 . . . . 0.0 109.779 178.194 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 3.7 ttm180 -60.19 -35.8 76.21 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.037 175.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.611 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 24.9 mt-10 -87.62 -40.02 14.56 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.895 -177.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.632 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 3.1 mm-40 -88.16 -50.39 6.41 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.684 -179.124 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.707 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 55.0 mt -96.94 5.05 51.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.806 -170.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.88 27.79 30.05 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.205 -0.522 . . . . 0.0 114.367 -176.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.41 HG12 ' HB2' ' A' ' 62' ' ' LEU . 44.2 pt -129.3 135.78 60.98 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 CA-C-N 117.749 0.774 . . . . 0.0 111.561 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.566 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 27.1 mt-10 -91.6 94.85 9.61 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 176.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.498 ' O ' HG22 ' A' ' 55' ' ' VAL . . . -84.66 161.8 19.96 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.134 -172.213 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 93' ' ' ASP . 14.3 t -116.13 143.89 44.89 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 172.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.1 t -108.87 119.68 58.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -163.63 56.71 0.28 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 119.419 -1.372 . . . . 0.0 114.318 -174.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.552 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 12.2 pt-20 161.63 106.84 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.092 0.957 . . . . 0.0 109.621 177.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.503 ' HA ' ' CD1' ' A' ' 89' ' ' TRP . 80.9 t80 -80.4 131.14 35.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.803 -175.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 85.0 t -96.99 -71.19 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.525 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -161.86 -178.5 6.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 0.0 111.576 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.1 p -140.49 154.42 46.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.024 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -144.42 145.79 32.11 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 175.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -111.59 141.02 45.72 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.325 0.583 . . . . 0.0 111.559 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.614 ' HD3' ' HB2' ' A' ' 122' ' ' ALA . 33.3 ptt180 -146.5 158.77 43.95 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 106.5 -1.666 . . . . 0.0 106.5 176.04 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -112.89 151.04 30.95 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 119.342 -0.943 . . . . 0.0 111.082 -177.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.602 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.5 p -120.36 93.11 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 170.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.7 m 39.22 76.35 0.06 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.919 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.01 -24.34 9.24 Favored Glycine 0 CA--C 1.517 0.198 0 CA-C-N 115.811 -0.631 . . . . 0.0 114.242 175.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.492 ' HB2' HG13 ' A' ' 79' ' ' VAL . 73.7 mtt85 -93.62 133.61 36.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.455 0.628 . . . . 0.0 110.137 178.116 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.1 mp -93.94 113.69 29.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -176.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.804 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -88.28 129.27 39.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.196 0.522 . . . . 0.0 109.622 179.056 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -111.0 105.3 14.02 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.542 -173.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.695 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.3 mp -93.01 123.07 35.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.102 0.477 . . . . 0.0 111.448 -177.268 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -106.29 115.3 29.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.995 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -97.73 116.86 30.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.049 0.452 . . . . 0.0 111.064 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.503 ' CD1' ' HA ' ' A' ' 71' ' ' TYR . 1.7 m-90 -117.62 152.13 35.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.374 175.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.699 ' NE2' ' HB3' ' A' ' 17' ' ' GLU . 10.2 t-160 -99.69 127.54 45.81 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 173.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.1 m -90.8 107.83 23.36 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-O 121.149 0.499 . . . . 0.0 110.136 176.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.74 -23.43 19.3 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.581 2.188 . . . . 0.0 112.163 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.414 ' O ' HG22 ' A' ' 67' ' ' THR . 19.7 t70 -150.92 143.99 24.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 -177.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -137.25 167.85 20.77 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.654 177.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.566 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 10.5 t60 -122.75 119.87 31.93 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -177.369 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.75 -156.8 15.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.24 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 87.4 m -124.32 132.2 53.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.519 HD23 ' H ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -73.99 120.37 19.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.28 0.562 . . . . 0.0 110.936 -174.364 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.707 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 11.0 pt20 -131.18 171.07 13.72 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.565 -178.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.754 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -113.75 109.35 18.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.047 0.451 . . . . 0.0 111.415 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.632 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 12.0 t-80 -86.46 -67.52 0.81 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.774 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.47 ' HB2' ' CD ' ' A' ' 61' ' ' GLU . 16.7 mt-10 -93.19 -36.99 12.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.356 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.59 ' CD2' ' HB3' ' A' ' 27' ' ' ARG . 67.3 m80 -69.02 144.96 53.92 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 173.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -86.0 -68.27 0.75 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.771 -0.371 . . . . 0.0 111.637 -171.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.462 ' O ' HD12 ' A' ' 106' ' ' LEU . . . -110.67 149.2 30.79 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.754 HD13 ' HB2' ' A' ' 100' ' ' ALA . 6.1 mp -129.64 134.42 47.67 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 120.912 0.387 . . . . 0.0 110.249 -178.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.1 m -127.59 143.66 39.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.596 178.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 7.6 p90 -110.97 117.0 32.16 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.501 173.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 113' ' ' GLU . 29.0 p -142.4 156.12 45.18 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.982 -178.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 m -61.17 156.8 47.53 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.464 ' O ' HD11 ' A' ' 127' ' ' LEU . 1.4 Cg_endo -46.6 -46.37 17.83 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.815 2.343 . . . . 0.0 112.806 177.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.53 -33.03 74.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.48 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.447 ' HA ' ' OE1' ' A' ' 116' ' ' GLN . 19.1 mm-40 -72.66 -35.94 67.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.286 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.07 -38.71 76.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.262 -175.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.725 HD11 HG23 ' A' ' 124' ' ' ILE . 0.2 OUTLIER -72.82 -11.12 60.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.554 0.216 . . . . 0.0 111.324 -175.781 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.447 ' OE1' ' HA ' ' A' ' 113' ' ' GLU . 50.5 mt-30 -82.02 -10.18 59.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.864 0.364 . . . . 0.0 110.758 176.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -93.52 160.44 32.98 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.866 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.641 ' HG2' ' HD1' ' A' ' 37' ' ' TRP . 68.0 Cg_endo -72.35 72.07 2.95 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.201 1.934 . . . . 0.0 111.473 178.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.632 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 76.8 mt -79.87 151.54 30.13 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 176.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.539 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -61.34 155.06 59.86 Favored Pre-proline 0 C--N 1.327 -0.409 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.746 178.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.5 -4.65 4.54 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.082 2.522 . . . . 0.0 112.891 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.614 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -99.25 -31.44 11.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.775 0.321 . . . . 0.0 110.44 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.539 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.6 m-20 -79.61 -25.09 41.57 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.676 -175.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.725 HG23 HD11 ' A' ' 115' ' ' LEU . 85.4 mt -61.92 -58.67 16.53 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.17 178.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.482 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 11.4 Cg_endo -57.71 -26.42 73.04 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 122.541 2.161 . . . . 0.0 112.874 176.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 97.3 mt -73.82 -45.59 50.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.099 0.476 . . . . 0.0 109.932 179.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.563 HD12 HD23 ' A' ' 115' ' ' LEU . 3.1 tm? -69.56 -38.16 77.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.75 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -49.6 -45.92 48.56 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.892 175.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.541 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -84.27 -14.28 50.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.65 -178.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -76.43 -46.94 24.87 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.1 ptm -70.15 -29.2 66.05 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.588 175.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -64.38 -40.17 95.29 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 120.677 0.275 . . . . 0.0 110.834 171.242 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.56 -39.36 84.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.553 -177.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.439 ' HD2' ' OE2' ' A' ' 17' ' ' GLU . 19.2 mtp180 -70.52 -24.32 62.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.406 178.093 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.12 -35.3 15.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.78 -177.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -95.8 -40.02 9.55 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? 59.29 85.22 0.19 Allowed Pre-proline 0 N--CA 1.465 0.311 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.21 -176.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.25 174.85 12.12 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.826 2.351 . . . . 0.0 111.961 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -107.96 -75.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.289 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--O 1.245 0.866 0 CA-C-O 118.886 -0.578 . . . . 0.0 109.869 177.382 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.79 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -65.32 157.78 56.03 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.85 2.367 . . . . 0.0 112.05 178.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.1 tp -81.06 77.44 7.96 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.452 0.644 . . . . 0.0 110.889 -177.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.56 54.83 0.5 Allowed Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.168 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 t -83.02 81.98 8.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.242 0.544 . . . . 0.0 111.133 -174.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.6 mtp -95.43 52.66 1.41 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 171.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -67.39 157.92 32.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.072 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.403 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 52.2 mtt -95.29 134.25 38.27 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.838 176.135 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.595 ' HB ' HG23 ' A' ' 84' ' ' ILE . 19.7 mt -104.97 110.31 30.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 177.378 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -95.27 125.19 39.73 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 120.259 -0.576 . . . . 0.0 109.525 -173.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 98.8 t -127.86 125.66 65.34 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.421 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 2.7 m -98.54 130.25 47.65 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.4 125.21 52.16 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 -176.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.545 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -100.85 113.13 25.79 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.352 -177.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.52 HG23 HG23 ' A' ' 22' ' ' ILE . 6.3 mt -91.45 100.04 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.238 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.813 HG13 HD23 ' A' ' 23' ' ' LEU . 2.6 mm -84.19 101.36 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.6 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . 5.2 tm-20 -119.52 120.91 38.14 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -176.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -148.36 137.51 21.88 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.383 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 66.95 17.46 10.52 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.415 0.447 . . . . 0.0 111.221 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.4 10.98 72.88 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.569 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.539 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -119.18 149.55 41.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 117.06 0.43 . . . . 0.0 110.358 176.526 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.52 HG23 HG23 ' A' ' 15' ' ' ILE . 41.0 mt -107.51 139.77 28.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.108 177.14 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.813 HD23 HG13 ' A' ' 16' ' ' ILE . 41.3 tp -77.24 114.98 16.64 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.276 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.626 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 22.9 mt -109.54 136.24 49.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.9 173.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.476 ' HB1' ' CB ' ' A' ' 103' ' ' HIS . . . -118.19 120.37 37.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.994 -177.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.57 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -73.45 105.81 4.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.733 -177.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.57 ' HB2' ' O ' ' A' ' 26' ' ' GLN . 3.8 tmt_? 167.37 103.39 0.03 OUTLIER Pre-proline 0 C--O 1.221 -0.422 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 174.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.428 ' HA ' ' OE1' ' A' ' 38' ' ' GLU . 53.9 Cg_endo -86.56 -153.42 0.04 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 122.149 1.899 . . . . 0.0 111.618 -172.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.83 -82.76 0.26 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.658 -175.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -116.01 18.26 15.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.0 0.428 . . . . 0.0 110.822 -175.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.7 m -96.49 107.83 20.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.515 -174.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -72.69 0.21 11.35 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.088 0.471 . . . . 0.0 111.105 178.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -77.95 -25.53 48.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.939 -175.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 59.21 -168.56 0.15 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.407 -177.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.7 -26.48 5.25 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 121.139 -0.553 . . . . 0.0 113.194 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.492 ' HA ' ' HG2' ' A' ' 118' ' ' PRO . 17.8 mt -77.32 147.23 36.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.709 0.29 . . . . 0.0 111.183 -177.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.626 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 39.4 m95 -116.43 153.25 32.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.428 ' OE1' ' HA ' ' A' ' 28' ' ' PRO . 8.6 pt-20 -153.11 175.73 12.69 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.45 ' CD1' HG12 ' A' ' 15' ' ' ILE . 89.7 m-85 -83.38 150.01 26.35 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.52 161.92 27.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.92 -134.48 4.73 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.56 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.553 ' HA3' ' OE2' ' A' ' 57' ' ' GLU . . . 163.25 -179.55 38.35 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.21 -0.995 . . . . 0.0 113.121 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -80.27 148.69 30.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.936 0.398 . . . . 0.0 110.527 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.4 t -102.0 124.99 56.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.673 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -82.48 147.87 57.29 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 175.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.29 -5.29 5.02 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 122.755 2.303 . . . . 0.0 113.28 -177.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -106.87 5.23 28.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.616 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -135.36 155.63 50.27 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 177.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.6 t -90.31 166.85 13.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.773 0.321 . . . . 0.0 110.655 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -60.45 -43.24 97.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.34 -176.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -64.66 -42.75 95.19 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.391 0.615 . . . . 0.0 109.783 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -65.31 -41.42 94.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.646 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.15 -45.84 91.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.674 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.702 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 37.5 mt -60.63 -47.13 87.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.889 0.376 . . . . 0.0 110.717 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 65.2 t -59.11 -48.64 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.226 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.558 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 5.6 ppt_? -70.32 -41.76 72.85 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.364 -177.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.553 ' OE2' ' HA3' ' A' ' 42' ' ' GLY . 5.1 mm-40 -60.4 -47.27 86.82 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 31.5 mt -66.96 -33.33 75.35 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.081 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -61.2 -35.74 78.01 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.204 175.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 23.9 mt-10 -86.88 -36.71 18.26 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.275 -177.38 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.569 ' HG2' ' HG2' ' A' ' 102' ' ' GLU . 4.2 mt-10 -86.24 -53.99 4.71 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.644 179.244 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.706 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 50.5 mt -99.16 2.92 46.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.187 -168.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 50.39 30.15 18.2 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 114.403 0.521 . . . . 0.0 114.403 -174.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.601 HG12 ' HB2' ' A' ' 62' ' ' LEU . 42.8 pt -121.27 142.73 36.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 117.793 0.797 . . . . 0.0 111.449 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -96.41 98.28 10.13 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.358 174.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.658 ' HB1' ' HH2' ' A' ' 89' ' ' TRP . . . -88.33 156.47 19.15 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.191 0.52 . . . . 0.0 112.04 -173.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.8 m -112.79 113.77 26.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.305 176.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.9 t -89.32 133.05 32.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.404 0.145 . . . . 0.0 110.848 -176.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . 175.16 62.06 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.707 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 70' ' ' GLU . 11.2 pt-20 155.09 99.24 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.519 1.127 . . . . 0.0 109.766 -178.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.506 ' CD1' ' HB2' ' A' ' 89' ' ' TRP . 46.8 m-85 -95.95 146.11 24.87 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.908 -0.495 . . . . 0.0 111.0 -178.311 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.439 HG13 HD12 ' A' ' 133' ' ' LEU . 61.8 t -93.15 -69.65 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.888 -175.143 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -155.48 172.7 17.8 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.343 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.1 m -130.91 150.92 51.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.387 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -145.1 148.75 33.99 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -110.83 140.69 45.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.041 0.448 . . . . 0.0 111.285 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.712 HH11 ' HB3' ' A' ' 122' ' ' ALA . 27.9 ptt180 -144.51 167.31 22.8 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 174.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -120.59 149.74 41.98 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 119.118 -1.033 . . . . 0.0 111.952 -179.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.667 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.6 p -121.99 95.96 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.177 -0.92 . . . . 0.0 108.899 173.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.5 p 43.97 71.87 0.22 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.156 -176.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.38 -22.64 8.34 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 120.97 -0.633 . . . . 0.0 114.388 176.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.48 ' HB2' HG13 ' A' ' 79' ' ' VAL . 72.1 mtt85 -93.95 137.86 32.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 117.523 0.662 . . . . 0.0 110.225 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.405 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.0 mp -95.35 114.91 33.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.14 0.495 . . . . 0.0 110.494 -176.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.667 HD11 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -89.48 128.4 41.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.352 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -108.86 106.56 16.6 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.713 -177.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.55 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.5 mp -99.87 128.46 45.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.654 0.264 . . . . 0.0 110.698 -179.331 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -119.64 116.92 26.98 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 175.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.58 133.58 34.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.924 0.392 . . . . 0.0 111.067 -178.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.658 ' HH2' ' HB1' ' A' ' 66' ' ' ALA . 6.9 t90 -129.66 135.8 48.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.541 -178.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.6 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 35.8 t-80 -92.83 132.41 37.01 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.648 HG12 ' HA ' ' A' ' 16' ' ' ILE . 7.4 p -89.14 110.91 41.75 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-O 121.486 0.66 . . . . 0.0 111.46 -175.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 56.3 Cg_endo -73.95 -28.47 11.15 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.596 2.197 . . . . 0.0 111.926 177.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -158.19 142.23 15.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.734 -178.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 38.5 p90 -146.54 141.18 26.75 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.815 176.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -110.09 119.69 40.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.541 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 131.19 -167.08 22.57 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.269 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.7 m -119.69 122.31 41.21 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.575 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -76.41 124.12 27.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.695 0.76 . . . . 0.0 111.299 -172.165 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.706 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 12.3 pt20 -132.0 169.61 16.09 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.367 -177.31 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' A' ' 103' ' ' HIS . . . -111.24 119.61 39.51 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.879 0.371 . . . . 0.0 111.086 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -110.19 -56.85 2.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.511 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.569 ' HG2' ' HG2' ' A' ' 61' ' ' GLU . 47.1 mm-40 -83.16 -45.63 13.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.676 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.548 ' CD2' ' HB3' ' A' ' 27' ' ' ARG . 75.2 m80 -80.9 163.42 23.38 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 171.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -87.02 -65.57 1.0 Allowed 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -171.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.68 164.76 20.57 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 122.323 -0.235 . . . . 0.0 111.266 -175.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.504 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.8 mm? -119.52 139.78 51.57 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.0 p -132.23 140.61 47.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.669 0.271 . . . . 0.0 110.658 171.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -99.92 111.04 23.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.877 0.37 . . . . 0.0 110.639 176.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 12.8 p -129.22 148.15 51.13 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.382 177.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.563 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 2.7 m -60.7 160.44 19.54 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.517 -179.358 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.632 ' O ' HD11 ' A' ' 127' ' ' LEU . 5.1 Cg_endo -47.97 -54.49 5.13 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.866 2.377 . . . . 0.0 112.815 177.133 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.55 -27.19 65.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.723 0.297 . . . . 0.0 111.373 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.563 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 70.2 mm-40 -73.21 -35.31 66.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.19 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.61 -38.68 85.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.772 -177.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.622 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -73.33 -14.03 61.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.105 0.478 . . . . 0.0 110.572 -177.332 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -83.52 -11.79 57.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.199 0.523 . . . . 0.0 110.119 175.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -87.15 162.35 43.73 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.543 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.492 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 58.3 Cg_endo -72.58 79.07 1.93 Allowed 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 121.927 1.751 . . . . 0.0 112.167 177.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.453 HD12 HD22 ' A' ' 115' ' ' LEU . 73.0 mt -86.66 153.88 21.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.608 177.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.496 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -65.72 155.77 85.09 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.751 178.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.414 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 9.7 Cg_endo -52.8 -30.03 45.28 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.524 2.816 . . . . 0.0 114.247 -175.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.712 ' HB3' HH11 ' A' ' 77' ' ' ARG . . . -93.02 -18.03 23.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.975 0.417 . . . . 0.0 111.117 -178.038 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.496 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.2 m-20 -81.69 -24.1 36.43 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.483 -176.257 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.614 HG23 HD11 ' A' ' 115' ' ' LEU . 77.2 mt -61.21 -59.61 13.18 Favored Pre-proline 0 CA--C 1.54 0.592 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.846 176.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.497 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 10.3 Cg_endo -53.6 -30.7 56.35 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.925 2.417 . . . . 0.0 113.119 177.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 98.6 mt -71.19 -46.85 60.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.132 0.491 . . . . 0.0 110.178 -178.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.632 HD11 ' O ' ' A' ' 111' ' ' PRO . 3.3 tm? -72.15 -37.79 69.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.086 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.57 -40.37 65.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.137 177.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.73 -26.02 40.92 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 120.554 -0.459 . . . . 0.0 111.273 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.486 ' HB3' HD22 ' A' ' 127' ' ' LEU . 86.8 t80 -65.95 -45.83 80.35 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 15.4 ptp -69.46 -37.42 77.32 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.988 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.48 -44.18 89.27 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.077 0.465 . . . . 0.0 111.432 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.439 HD12 HG13 ' A' ' 72' ' ' VAL . 45.1 mt -64.49 -45.4 87.5 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.032 -177.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 36.7 mtp85 -75.88 -16.9 59.97 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.763 -177.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.96 -38.29 12.35 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 177.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -92.48 -21.43 20.16 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -175.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 137' ' ' ARG . 13.2 ptm180 39.72 75.85 0.54 Allowed Pre-proline 0 N--CA 1.473 0.685 0 C-N-CA 123.99 0.916 . . . . 0.0 112.464 -178.031 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -64.74 142.48 76.77 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.481 2.121 . . . . 0.0 112.381 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.2 -61.23 2.38 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.472 177.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.303 -0.856 . . . . 0.0 109.465 175.434 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.87 -4.61 15.41 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.836 2.357 . . . . 0.0 112.736 -177.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -94.37 125.47 39.03 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 177.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.48 47.16 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.552 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 m -121.43 128.7 52.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.633 0.254 . . . . 0.0 110.556 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.483 ' O ' ' HG3' ' A' ' 6' ' ' MET . 26.3 ptt? -158.1 94.46 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.83 0.824 . . . . 0.0 110.116 175.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -88.56 158.98 18.12 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.107 178.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.457 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 70.3 mtm -102.43 138.12 39.77 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.385 0.612 . . . . 0.0 111.185 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.81 ' HB ' HG23 ' A' ' 84' ' ' ILE . 42.1 mt -112.75 117.93 56.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 114.704 -1.135 . . . . 0.0 108.294 178.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -92.62 124.64 36.79 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -175.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 57.9 t -125.49 128.02 72.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -179.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.482 ' HB ' HD21 ' A' ' 54' ' ' LEU . 3.1 m -106.96 128.95 61.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.301 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.39 124.1 51.66 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.86 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.516 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -101.82 112.77 25.49 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.443 -177.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.547 HG23 HG23 ' A' ' 22' ' ' ILE . 7.5 mt -92.79 100.25 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.14 177.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.75 HD13 HG21 ' A' ' 91' ' ' VAL . 1.2 mm -81.37 101.78 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.479 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . 6.1 tm-20 -123.35 124.02 42.02 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.182 0.515 . . . . 0.0 109.697 -174.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -145.46 137.71 25.68 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.376 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 67.99 2.63 3.22 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.645 0.59 . . . . 0.0 112.183 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.98 10.02 40.99 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.288 -0.958 . . . . 0.0 112.134 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -123.14 144.97 48.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.817 0.341 . . . . 0.0 110.184 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.547 HG23 HG23 ' A' ' 15' ' ' ILE . 35.3 mt -106.51 149.07 10.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.886 -175.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.662 ' HB2' ' HB ' ' A' ' 16' ' ' ILE . 1.4 tt -85.74 120.06 26.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.29 178.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.495 HD13 ' SG ' ' A' ' 109' ' ' CYS . 7.3 mp -118.01 134.28 55.12 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.907 175.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.91 126.36 53.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.475 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.418 ' O ' ' HB3' ' A' ' 27' ' ' ARG . 29.5 tt0 -79.38 145.6 33.29 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 175.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.418 ' HB3' ' O ' ' A' ' 26' ' ' GLN . 3.1 tmt_? 83.14 108.08 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 O-C-N 124.652 1.22 . . . . 0.0 108.515 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.446 ' CG ' ' HB2' ' A' ' 31' ' ' SER . 45.9 Cg_endo -85.72 -151.92 0.04 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.242 2.628 . . . . 0.0 112.109 -169.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.408 ' H ' ' HB2' ' A' ' 28' ' ' PRO . . . -114.4 -59.58 2.0 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -176.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -93.99 -9.77 35.83 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -175.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.446 ' HB2' ' CG ' ' A' ' 28' ' ' PRO . 50.9 m -99.27 134.7 41.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.94 0.4 . . . . 0.0 110.923 -178.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -91.39 3.1 55.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.567 0.699 . . . . 0.0 110.947 -177.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -96.28 138.0 34.52 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.113 -177.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.8 173.98 6.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.486 -172.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.92 -25.81 12.86 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.543 177.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.497 HD23 ' HB2' ' A' ' 118' ' ' PRO . 17.3 mt -76.66 150.78 36.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.783 0.325 . . . . 0.0 111.299 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.473 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 50.1 m95 -115.35 148.79 38.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.363 176.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -140.73 163.61 32.43 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 175.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.465 ' HZ ' HD23 ' A' ' 127' ' ' LEU . 68.7 m-85 -76.24 159.18 30.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 174.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.459 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -82.21 164.88 20.92 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.316 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.15 -133.09 5.49 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.578 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' O ' HG13 ' A' ' 11' ' ' VAL . . . 160.16 -146.23 12.34 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.525 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.548 ' HG2' ' N ' ' A' ' 44' ' ' VAL . 54.7 tttt -111.36 153.99 25.22 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.931 0.396 . . . . 0.0 110.316 -175.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.548 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 38.3 t -106.77 106.29 20.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.256 177.045 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -68.12 150.1 97.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 176.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -60.85 0.93 0.66 Allowed 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 123.072 2.515 . . . . 0.0 114.595 -172.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -108.91 -15.48 14.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.992 0.425 . . . . 0.0 111.946 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.408 ' HG3' HG13 ' A' ' 44' ' ' VAL . 17.2 pt-20 -108.52 159.73 16.47 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.962 -176.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.5 t -93.47 165.05 12.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.422 -178.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -59.19 -55.07 39.65 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 122.401 0.28 . . . . 0.0 111.154 -178.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.479 ' HG2' HG11 ' A' ' 68' ' ' VAL . 76.5 mtt180 -62.56 -36.78 83.74 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.382 -179.423 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -67.99 -40.67 83.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.207 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.07 -48.25 81.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.83 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.616 ' O ' HD13 ' A' ' 58' ' ' LEU . 28.1 mt -61.75 -44.34 97.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.68 0.276 . . . . 0.0 110.736 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.23 -45.98 97.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.241 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.633 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.0 ppt_? -75.05 -40.11 60.56 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.649 -176.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.12 -53.75 54.8 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.638 0.256 . . . . 0.0 111.385 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.616 HD13 ' O ' ' A' ' 54' ' ' LEU . 9.2 mp -59.14 -35.49 73.58 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-O 120.651 0.262 . . . . 0.0 111.12 176.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -61.84 -33.75 74.73 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.724 0.297 . . . . 0.0 111.065 176.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.633 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 29.1 mt-10 -87.71 -41.04 13.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.896 0.379 . . . . 0.0 111.002 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.5 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 81.8 mm-40 -87.88 -49.7 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -176.15 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.681 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 65.2 mt -99.85 3.78 44.83 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.815 -173.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.32 25.47 26.43 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 121.203 -0.522 . . . . 0.0 114.383 -175.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.561 HG12 ' HB2' ' A' ' 62' ' ' LEU . 42.8 pt -119.23 144.47 27.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 117.763 0.781 . . . . 0.0 111.763 -178.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -100.81 101.15 11.93 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.482 174.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.577 ' HA ' ' HA ' ' A' ' 94' ' ' PHE . . . -96.44 157.92 15.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.595 -170.218 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.5 m -110.44 111.0 21.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.293 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.54 ' HA ' ' CE2' ' A' ' 89' ' ' TRP . 33.9 t -84.84 140.17 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 -175.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.15 -73.51 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.775 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -92.54 121.55 34.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.366 0.603 . . . . 0.0 112.28 -172.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 89' ' ' TRP . 58.2 m-85 -92.57 146.44 23.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.714 177.442 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.0 t -93.59 -68.46 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.945 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.1 176.48 9.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.745 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.9 m -142.5 143.68 32.65 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -137.43 137.86 39.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.536 -173.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -110.0 145.52 36.85 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.427 0.632 . . . . 0.0 111.262 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.576 ' HG3' HG13 ' A' ' 84' ' ' ILE . 35.3 ptt180 -155.69 175.35 14.03 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 176.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -120.02 150.95 39.73 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.461 -0.895 . . . . 0.0 111.891 177.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.633 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.6 p -122.05 96.19 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 171.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.9 p 46.52 71.02 0.33 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.955 -175.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.31 -23.03 6.54 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.761 -0.733 . . . . 0.0 114.466 175.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -95.51 137.25 34.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.516 0.658 . . . . 0.0 110.334 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' A' ' 8' ' ' MET . 2.1 mp -94.54 116.68 36.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.944 0.402 . . . . 0.0 110.593 -174.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.81 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -92.24 135.81 26.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.262 0.553 . . . . 0.0 110.712 178.381 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -117.89 102.14 8.85 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.622 -176.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.59 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.5 mp -93.92 130.52 39.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.837 0.351 . . . . 0.0 111.153 -176.117 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -111.58 114.73 27.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.455 177.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -91.56 118.42 30.59 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.698 0.285 . . . . 0.0 110.536 178.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.574 ' HH2' ' HB1' ' A' ' 66' ' ' ALA . 4.2 t90 -113.73 132.83 55.67 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.722 -178.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.55 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 13.7 t-80 -87.63 125.78 34.57 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 176.377 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.75 HG21 HD13 ' A' ' 16' ' ' ILE . 24.1 t -87.28 107.87 16.79 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-O 120.825 0.345 . . . . 0.0 110.274 -174.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.55 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 91.0 Cg_endo -82.32 -21.02 5.65 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.693 2.262 . . . . 0.0 111.816 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -158.19 137.68 11.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.536 -176.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.577 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 28.9 p90 -149.99 140.08 22.07 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.826 177.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -113.33 138.5 49.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.535 -177.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.44 -161.65 13.26 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 -177.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.8 m -123.96 129.0 50.24 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 117.101 0.451 . . . . 0.0 109.912 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.523 ' H ' ' HG ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -78.89 122.43 26.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.571 0.7 . . . . 0.0 111.077 -175.192 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.681 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.6 pt20 -134.95 168.67 18.66 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.515 -1.221 . . . . 0.0 108.899 -177.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -107.93 123.56 48.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.896 0.379 . . . . 0.0 111.65 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.5 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 19.9 t-80 -95.55 -70.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.267 176.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -80.41 -34.54 36.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.452 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -81.44 166.47 20.34 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -83.0 -68.81 0.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.843 0.354 . . . . 0.0 111.546 -174.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -136.65 166.28 23.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.632 -176.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.405 HD12 HD21 ' A' ' 23' ' ' LEU . 1.5 mm? -116.13 140.12 49.62 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.8 p -130.62 139.18 51.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 173.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -101.14 114.43 28.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.157 175.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.495 ' SG ' HD13 ' A' ' 24' ' ' LEU . 25.2 p -135.6 152.45 51.26 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.119 177.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.528 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 15.1 m -71.88 161.88 76.35 Favored Pre-proline 0 C--N 1.319 -0.717 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.33 -176.048 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 110' ' ' SER . 5.1 Cg_endo -47.35 -53.26 6.66 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.234 2.623 . . . . 0.0 113.852 -176.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.464 ' CD ' ' H ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -69.37 -24.22 63.85 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.288 -177.372 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.462 ' O ' ' HD1' ' A' ' 117' ' ' TYR . 52.1 mm-40 -72.15 -42.92 65.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.739 174.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.05 81.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.18 -173.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.658 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -76.39 -7.98 56.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.991 0.424 . . . . 0.0 110.765 -176.873 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -93.47 -1.7 55.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.089 0.471 . . . . 0.0 110.194 173.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.462 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 34.2 m-85 -94.71 158.85 34.62 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.607 176.288 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.497 ' HB2' HD23 ' A' ' 36' ' ' LEU . 57.0 Cg_endo -71.65 76.01 1.99 Allowed 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.187 1.925 . . . . 0.0 112.125 178.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.473 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 70.5 mt -81.34 152.72 27.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.12 176.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.51 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -62.44 153.5 76.44 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.316 176.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -56.87 -19.16 30.51 Favored 'Trans proline' 0 CA--C 1.534 0.522 0 C-N-CA 123.004 2.469 . . . . 0.0 113.676 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.456 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -90.39 -23.91 20.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.714 0.293 . . . . 0.0 110.878 178.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.51 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.1 m-20 -81.59 -22.59 37.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.576 -175.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.456 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 48.2 mm -61.86 -59.58 12.81 Favored Pre-proline 0 CA--C 1.537 0.475 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.066 -177.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.456 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 19.7 Cg_endo -59.67 -25.69 79.81 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.455 2.103 . . . . 0.0 112.677 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 91.3 mt -76.15 -45.8 31.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.833 0.349 . . . . 0.0 110.297 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.658 ' HB3' HD23 ' A' ' 115' ' ' LEU . 2.9 tm? -71.42 -35.62 71.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.776 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -49.99 -47.8 52.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 175.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.504 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -79.8 -15.21 57.88 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.728 -178.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.423 ' HB3' HD22 ' A' ' 127' ' ' LEU . 55.9 t80 -76.25 -47.85 22.36 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.6 ptm -67.78 -35.78 79.28 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.676 175.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.504 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -57.48 -43.88 84.44 Favored 'General case' 0 C--N 1.338 0.101 0 CA-C-O 120.93 0.395 . . . . 0.0 111.148 170.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 137' ' ' ARG . 1.1 tp -66.24 -32.48 73.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.211 -176.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -85.5 -18.61 32.98 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.644 -0.423 . . . . 0.0 111.643 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.16 -39.14 12.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.977 0.418 . . . . 0.0 110.706 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -86.72 -27.15 23.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.097 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.45 ' HA ' ' HD2' ' A' ' 138' ' ' PRO . 34.4 ptt180 46.49 95.78 0.04 OUTLIER Pre-proline 0 N--CA 1.471 0.607 0 C-N-CA 125.039 1.336 . . . . 0.0 113.522 178.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.45 ' HD2' ' HA ' ' A' ' 137' ' ' ARG . 59.2 Cg_endo -71.81 125.55 11.16 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.3 2.0 . . . . 0.0 110.758 173.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.85 -69.17 0.32 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.82 0.343 . . . . 0.0 111.414 -175.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 C--O 1.252 1.208 0 CA-C-O 118.404 -0.807 . . . . 0.0 109.774 178.947 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 111.992 -0.443 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.566 ' HG2' HD22 ' A' ' 3' ' ' LEU . 50.3 Cg_endo -71.81 -36.13 6.63 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.455 2.104 . . . . 0.0 112.231 -179.119 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.566 HD22 ' HG2' ' A' ' 2' ' ' PRO . 3.2 mm? -85.4 -70.17 0.61 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.092 0.472 . . . . 0.0 110.347 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.81 19.41 57.97 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.113 -176.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 m -69.26 96.11 0.82 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.051 0.453 . . . . 0.0 110.066 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.483 ' HB3' HD13 ' A' ' 83' ' ' ILE . 59.1 mtm -126.11 123.22 37.84 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.07 -176.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -92.98 160.78 14.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.883 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.414 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 62.4 mtt -109.06 139.52 43.84 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.731 0.777 . . . . 0.0 112.286 -172.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.757 ' HB ' HG23 ' A' ' 84' ' ' ILE . 24.1 mt -108.5 116.69 52.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 114.268 -1.333 . . . . 0.0 107.729 173.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -94.37 123.77 37.98 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 -171.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.63 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 97.1 t -132.08 123.64 51.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.206 0.527 . . . . 0.0 109.758 -178.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.474 ' HB ' HD21 ' A' ' 54' ' ' LEU . 3.9 m -99.11 133.95 39.89 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.953 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 88' ' ' ALA . . . -119.54 131.46 55.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.138 0.494 . . . . 0.0 110.816 -174.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.499 ' HA ' ' CD1' ' A' ' 89' ' ' TRP . . . -102.54 121.1 41.69 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.163 -176.249 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.5 HG23 HG23 ' A' ' 22' ' ' ILE . 5.4 mt -98.24 100.41 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.779 HD13 HG21 ' A' ' 91' ' ' VAL . 1.2 mm -83.47 101.99 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 -178.037 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . 4.5 tm-20 -112.84 121.02 43.45 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -176.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.71 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -147.51 137.12 22.72 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 175.69 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 65.04 19.78 11.91 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.395 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.45 9.33 79.33 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.864 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -121.15 145.27 47.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.916 0.388 . . . . 0.0 110.559 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.5 HG23 HG23 ' A' ' 15' ' ' ILE . 26.4 mt -105.25 149.64 8.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.26 -178.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.744 HD23 HG13 ' A' ' 16' ' ' ILE . 57.2 tp -88.31 118.06 27.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.072 0.463 . . . . 0.0 111.2 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.411 HD13 ' SG ' ' A' ' 109' ' ' CYS . 6.6 mp -112.7 139.02 48.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.686 176.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.487 ' HB1' ' CB ' ' A' ' 103' ' ' HIS . . . -119.98 120.03 35.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.96 0.41 . . . . 0.0 111.137 -178.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.406 ' HB3' ' H ' ' A' ' 105' ' ' ALA . 19.9 tt0 -70.15 113.21 7.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.825 -176.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.543 ' HB3' ' CD2' ' A' ' 103' ' ' HIS . 1.0 OUTLIER 176.84 115.42 0.14 Allowed Pre-proline 0 C--O 1.219 -0.507 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 176.292 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.653 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 64.4 Cg_endo -75.52 -30.86 6.05 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.018 1.812 . . . . 0.0 112.263 -178.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 65.15 -77.33 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.834 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -96.53 8.81 43.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.44 -174.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.653 ' HB2' ' HB2' ' A' ' 28' ' ' PRO . 57.4 m -115.13 -27.45 7.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.89 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 61.78 12.36 4.65 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -101.04 101.11 11.81 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 177.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.69 139.0 58.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.268 -176.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.24 -21.54 13.04 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.296 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.488 ' HA ' ' HG2' ' A' ' 118' ' ' PRO . 5.2 mp -76.55 148.21 37.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.975 0.417 . . . . 0.0 111.314 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.486 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 48.2 m95 -115.64 149.55 38.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.916 -177.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -142.67 165.23 27.97 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.482 ' HE1' HG21 ' A' ' 22' ' ' ILE . 97.0 m-85 -79.36 147.37 32.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.91 0.386 . . . . 0.0 109.986 176.486 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.433 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -73.08 162.7 29.14 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.569 -178.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.12 -139.83 7.32 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.482 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.94 173.8 38.98 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.178 -1.011 . . . . 0.0 113.361 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.413 ' HZ3' ' HB3' ' A' ' 43' ' ' LYS . 3.7 ttpm? -81.14 149.54 29.09 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.383 -0.408 . . . . 0.0 110.001 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.9 t -100.41 119.93 49.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.565 -177.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -73.8 145.63 84.43 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.09 0.03 3.63 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.793 2.329 . . . . 0.0 113.483 -175.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -111.55 -1.07 15.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.259 0.552 . . . . 0.0 111.271 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -119.33 162.17 19.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.631 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 t -93.97 165.62 12.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.348 -178.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -61.52 -53.5 55.59 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.483 0.182 . . . . 0.0 111.036 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.419 ' O ' HG23 ' A' ' 55' ' ' VAL . 92.4 mtt180 -58.89 -38.69 79.42 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.391 0.615 . . . . 0.0 109.99 177.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -68.31 -42.76 78.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.463 -175.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.89 97.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.337 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.73 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 26.1 mt -60.37 -49.11 78.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 0.0 110.613 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 51' ' ' ARG . 61.0 t -60.54 -44.68 97.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.429 -176.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.602 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.7 ppt_? -75.14 -41.84 57.48 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.963 -177.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.69 -40.97 96.88 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 111.469 0.174 . . . . 0.0 111.469 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.73 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 52.9 mt -69.46 -31.08 69.16 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.525 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 59' ' ' ARG . 19.8 ttt85 -64.16 -35.23 80.09 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.7 174.17 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 35.8 mt-10 -81.23 -41.19 22.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -177.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.561 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 71.9 mm-40 -90.45 -46.73 8.16 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -177.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.651 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 58.9 mt -103.32 1.17 32.43 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -173.189 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 47.65 33.73 9.38 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 115.045 0.778 . . . . 0.0 115.045 -173.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.442 HG12 ' HB2' ' A' ' 62' ' ' LEU . 31.4 pt -123.72 146.37 29.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 118.304 1.052 . . . . 0.0 111.88 178.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.593 ' HB2' ' HB2' ' A' ' 95' ' ' HIS . 44.1 mt-10 -93.71 98.63 11.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.112 176.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.72 150.21 24.33 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.135 0.493 . . . . 0.0 111.936 -173.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.3 m -113.02 106.86 15.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.327 174.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.821 ' HA ' ' CZ3' ' A' ' 89' ' ' TRP . 23.2 t -86.86 130.85 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.048 -174.37 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.427 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . -177.48 62.65 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.021 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 70' ' ' GLU . 9.8 pt-20 151.24 111.24 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.808 1.243 . . . . 0.0 109.65 -175.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -99.4 149.17 23.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.752 -0.593 . . . . 0.0 110.964 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.9 t -96.09 -70.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.791 0.329 . . . . 0.0 111.443 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.47 178.09 10.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.027 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.0 m -135.61 149.99 49.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.872 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -145.26 146.9 31.87 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 177.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -117.91 143.6 46.19 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.444 0.64 . . . . 0.0 111.604 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.613 ' HD3' ' HB2' ' A' ' 122' ' ' ALA . 18.3 ptt180 -146.11 159.99 42.53 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 176.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -107.26 147.64 29.96 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 119.044 -1.063 . . . . 0.0 111.505 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.621 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.7 p -120.34 93.87 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 115.166 -0.924 . . . . 0.0 108.568 171.286 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.2 t 47.6 74.31 0.17 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.567 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.03 -8.68 29.34 Favored Glycine 0 CA--C 1.523 0.574 0 C-N-CA 120.984 -0.627 . . . . 0.0 114.657 175.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -110.51 140.27 44.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 117.564 0.682 . . . . 0.0 109.804 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' A' ' 6' ' ' MET . 1.8 mp -99.11 116.39 42.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 120.912 0.387 . . . . 0.0 110.229 -175.135 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.757 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -87.12 129.56 38.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.157 0.503 . . . . 0.0 109.903 175.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -108.62 101.86 10.97 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.242 -175.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.63 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 8.3 mp -94.78 123.71 38.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.699 0.285 . . . . 0.0 110.691 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -115.24 113.18 23.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.091 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 13' ' ' ALA . . . -89.92 144.71 25.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.931 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.821 ' CZ3' ' HA ' ' A' ' 68' ' ' VAL . 9.7 p-90 -139.31 150.8 45.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.716 176.148 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.515 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 44.1 t-80 -90.07 133.25 34.96 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 176.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.779 HG21 HD13 ' A' ' 16' ' ' ILE . 31.5 t -89.38 107.31 17.51 Favored Pre-proline 0 C--N 1.32 -0.711 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -177.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.515 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 73.9 Cg_endo -78.73 -28.65 4.03 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.512 2.141 . . . . 0.0 111.811 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -153.18 138.55 17.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.771 -177.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -148.7 136.43 20.62 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.776 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.593 ' HB2' ' HB2' ' A' ' 65' ' ' GLU . 23.9 m170 -106.93 140.32 39.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.52 -178.305 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.56 -160.53 14.4 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.135 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 56.1 m -125.73 134.04 51.9 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.557 HD13 ' H ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -73.93 123.54 24.46 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.472 0.653 . . . . 0.0 111.189 -175.328 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.651 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 26.2 pt20 -127.4 168.36 14.96 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.563 178.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.633 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -111.15 122.37 47.7 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.802 0.334 . . . . 0.0 111.523 178.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.475 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 21.8 t-80 -94.47 -74.41 0.54 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.353 0.597 . . . . 0.0 110.175 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.561 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -76.49 -46.5 26.42 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.642 178.233 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.544 ' O ' ' HB1' ' A' ' 100' ' ' ALA . 66.0 m80 -71.68 151.42 43.66 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.444 -1.253 . . . . 0.0 109.256 -177.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -91.86 -66.74 0.9 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.906 0.384 . . . . 0.0 111.197 -174.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.406 ' H ' ' HB3' ' A' ' 26' ' ' GLN . . . -98.71 153.4 18.75 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.068 -176.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.655 ' HG ' HD11 ' A' ' 23' ' ' LEU . 1.1 mp -130.82 123.59 29.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.7 p -129.69 144.71 37.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.681 0.277 . . . . 0.0 110.883 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 16.9 m-90 -106.78 116.99 32.88 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 173.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.411 ' SG ' HD13 ' A' ' 24' ' ' LEU . 25.5 p -139.32 155.37 47.75 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.295 177.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.3 m -66.89 158.22 81.3 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.231 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.537 ' O ' HD11 ' A' ' 127' ' ' LEU . 50.5 Cg_exo -46.24 -54.19 5.0 Favored 'Trans proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.177 2.584 . . . . 0.0 113.318 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.543 ' CD ' ' H ' ' A' ' 112' ' ' GLU . 1.5 pm0 -70.44 -28.49 65.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.724 0.297 . . . . 0.0 110.83 -177.159 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -66.8 -42.11 86.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.37 175.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 117' ' ' TYR . . . -60.03 -35.43 75.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.026 -177.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.688 HD11 HG23 ' A' ' 124' ' ' ILE . 0.2 OUTLIER -76.58 -9.22 58.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.895 0.379 . . . . 0.0 110.897 -178.15 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -88.36 -5.22 58.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.01 0.434 . . . . 0.0 110.292 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.408 ' HB2' ' O ' ' A' ' 114' ' ' ALA . 30.4 m-85 -89.83 159.49 43.08 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.66 176.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.488 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 55.6 Cg_endo -73.77 79.09 2.33 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 121.945 1.763 . . . . 0.0 111.658 175.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.486 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 75.7 mt -85.28 153.36 22.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.225 178.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.526 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -61.95 155.0 65.62 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.757 177.098 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.438 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 11.6 Cg_endo -55.96 -22.68 39.56 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.373 2.715 . . . . 0.0 114.386 -174.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.613 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -98.09 -17.57 19.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.829 0.347 . . . . 0.0 110.671 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.526 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.1 m-20 -81.01 -26.48 36.41 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.386 -176.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.688 HG23 HD11 ' A' ' 115' ' ' LEU . 81.1 mt -63.0 -59.72 11.7 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.461 178.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.522 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 10.1 Cg_endo -53.67 -32.25 64.13 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 123.033 2.489 . . . . 0.0 113.042 177.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.402 HD13 ' HB2' ' A' ' 88' ' ' ALA . 84.0 mt -68.6 -41.95 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.028 0.442 . . . . 0.0 110.228 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.549 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.2 tm? -73.49 -36.23 65.75 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.734 -179.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 33.5 mt-10 -54.2 -42.24 69.53 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.741 0.305 . . . . 0.0 110.621 177.336 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -81.69 -21.0 38.32 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.779 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -71.59 -45.52 61.93 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -69.34 -31.66 70.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.726 175.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -63.35 -42.24 98.89 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-O 120.931 0.396 . . . . 0.0 111.15 172.575 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.49 -34.26 75.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 -176.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -81.48 -16.82 50.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.101 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -88.1 -35.21 17.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.01 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.456 ' O ' ' HG2' ' A' ' 137' ' ' ARG . . . -91.99 -33.35 14.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.427 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 136' ' ' ALA . 1.4 ptp180 66.74 134.05 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.441 0 C-N-CA 124.806 1.242 . . . . 0.0 112.21 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.55 130.62 24.03 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.02 1.813 . . . . 0.0 110.344 169.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -85.33 16.33 3.76 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.925 0.393 . . . . 0.0 111.169 -174.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.454 -0.784 . . . . 0.0 109.953 -178.657 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt . . . . . 0 N--CA 1.449 -0.517 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.421 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 62.6 mtm -96.63 141.5 29.81 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 121.638 0.732 . . . . 0.0 111.236 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.72 ' HB ' HG23 ' A' ' 84' ' ' ILE . 26.7 mt -105.46 109.86 29.18 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 114.449 -1.251 . . . . 0.0 107.947 174.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.459 ' OE1' ' HE1' ' A' ' 87' ' ' HIS . 55.2 mm-40 -90.4 127.61 36.25 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 -172.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.62 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 61.7 t -133.37 130.26 57.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 m -107.76 134.74 48.63 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-O 120.892 0.377 . . . . 0.0 110.197 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.25 132.82 56.54 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.616 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.58 121.16 41.82 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.137 0.494 . . . . 0.0 110.441 -175.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.503 HG23 HG23 ' A' ' 22' ' ' ILE . 5.1 mt -95.1 100.13 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.005 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 175.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.51 HD12 HD23 ' A' ' 23' ' ' LEU . 37.3 mt -93.54 101.6 12.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -176.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.578 ' HB3' ' HE2' ' A' ' 90' ' ' HIS . 34.6 tt0 -105.41 108.09 19.42 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.079 -172.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.417 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 13.1 tpt85 -126.47 131.15 51.72 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 72.6 2.33 4.31 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.815 0.697 . . . . 0.0 111.394 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.26 -0.48 37.8 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.388 -0.91 . . . . 0.0 111.208 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.559 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 22.2 mttp -114.96 155.56 26.68 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 120.681 0.277 . . . . 0.0 110.499 -176.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.503 HG23 HG23 ' A' ' 15' ' ' ILE . 15.6 mt -104.7 148.01 9.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.039 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.51 HD23 HD12 ' A' ' 16' ' ' ILE . 36.5 tp -87.19 121.49 29.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.101 0.477 . . . . 0.0 111.009 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.463 HD13 ' SG ' ' A' ' 109' ' ' CYS . 7.4 mp -115.62 136.26 53.24 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.14 177.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.11 123.14 43.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.056 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 37' ' ' TRP . 25.0 tt0 . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.783 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.666 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.416 HD23 ' HB2' ' A' ' 118' ' ' PRO . 1.7 mp -77.0 120.81 22.63 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.186 0.517 . . . . 0.0 111.794 175.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.48 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 16.8 m0 -97.88 155.93 16.83 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.482 177.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -131.3 164.77 24.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.772 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.449 ' HD2' HG12 ' A' ' 15' ' ' ILE . 4.5 m-85 -88.67 117.81 27.89 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.41 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -56.81 150.23 16.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.804 -174.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.3 -133.64 2.98 Favored Glycine 0 N--CA 1.443 -0.879 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -176.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.53 173.53 33.27 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.038 -1.077 . . . . 0.0 113.387 178.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -77.86 145.61 36.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.828 0.347 . . . . 0.0 110.46 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.3 t -100.53 121.24 51.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.061 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -80.05 139.43 53.15 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 171.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.5 -29.85 71.15 Favored 'Trans proline' 0 CA--C 1.529 0.255 0 C-N-CA 122.691 2.261 . . . . 0.0 112.706 -175.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -84.48 -3.11 58.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.798 -177.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -116.54 161.84 18.51 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.441 ' HB3' ' HB3' ' A' ' 52' ' ' GLN . 33.5 t -86.59 154.93 20.68 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 -177.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -62.79 -42.51 99.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.51 0.195 . . . . 0.0 110.999 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.482 ' O ' HG23 ' A' ' 55' ' ' VAL . 77.9 mtt180 -67.76 -39.45 84.14 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 175.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.441 ' HB3' ' HB3' ' A' ' 49' ' ' SER . 31.4 tt0 -66.43 -38.29 87.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.995 -175.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.97 79.39 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.28 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.708 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 24.7 mt -59.42 -46.99 87.16 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.904 0.383 . . . . 0.0 110.697 178.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 51' ' ' ARG . 70.7 t -58.44 -46.83 89.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.017 -177.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.587 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.5 ppt_? -76.74 -40.85 47.1 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.236 -177.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.82 -44.25 94.11 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.556 0.217 . . . . 0.0 111.178 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 44.4 mt -69.14 -31.86 70.83 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 120.538 -0.465 . . . . 0.0 109.884 178.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 59' ' ' ARG . 20.3 ttt180 -64.98 -36.18 83.56 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.778 0.323 . . . . 0.0 110.987 175.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.587 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 28.4 mt-10 -83.47 -41.31 18.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.203 -178.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.616 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 69.3 mm-40 -88.93 -45.91 9.31 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.706 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 65.3 mt -102.34 4.67 39.27 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.781 -172.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.57 27.98 20.22 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 114.81 0.684 . . . . 0.0 114.81 -176.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.4 pt -127.09 142.85 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 118.204 1.002 . . . . 0.0 112.054 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.568 ' HB2' ' HB2' ' A' ' 95' ' ' HIS . 41.3 mt-10 -91.92 97.84 11.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.796 175.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 94' ' ' PHE . . . -84.99 153.31 22.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.278 0.561 . . . . 0.0 111.956 -173.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.59 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 44.7 m -110.98 107.4 16.81 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.254 176.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.401 HG11 ' HG2' ' A' ' 51' ' ' ARG . 36.3 t -80.48 136.07 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.319 -177.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -141.52 -85.23 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.055 -1.069 . . . . 0.0 113.431 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.599 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 10.2 pt-20 -85.05 126.63 33.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.374 0.607 . . . . 0.0 111.302 -172.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -79.64 132.75 36.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.249 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.553 ' HB ' ' O ' ' A' ' 88' ' ' ALA . 90.2 t -92.1 -68.6 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.72 0.295 . . . . 0.0 111.153 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -161.31 163.66 30.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 111.529 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.4 p -123.83 149.09 46.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.043 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -137.75 139.55 40.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.355 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -115.95 137.83 51.75 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.113 0.483 . . . . 0.0 111.217 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.698 ' HG3' HG13 ' A' ' 84' ' ' ILE . 31.9 ptt180 -147.71 173.42 12.79 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -120.4 149.84 41.72 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 119.724 -0.79 . . . . 0.0 111.254 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.605 HG11 HD12 ' A' ' 9' ' ' ILE . 2.5 p -125.63 96.32 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 173.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.6 p 41.74 70.39 0.28 Allowed 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.119 -173.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.79 -22.86 10.08 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 120.756 -0.735 . . . . 0.0 114.517 176.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.51 ' HB2' HG13 ' A' ' 79' ' ' VAL . 99.1 mtt180 -96.65 136.85 36.61 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 117.735 0.767 . . . . 0.0 110.493 -177.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 8' ' ' MET . 2.0 mp -93.63 114.96 31.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 120.861 0.362 . . . . 0.0 110.789 -175.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.72 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -87.53 132.62 32.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.32 0.581 . . . . 0.0 110.025 176.592 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -117.43 97.83 6.09 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.689 -173.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.62 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.7 mp -95.13 135.98 36.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.843 0.354 . . . . 0.0 111.436 -175.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.459 ' HE1' ' OE1' ' A' ' 10' ' ' GLU . 71.9 m80 -118.72 114.38 22.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.073 176.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.553 ' O ' ' HB ' ' A' ' 72' ' ' VAL . . . -93.12 107.46 19.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 51.2 m0 -115.18 143.71 44.8 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.149 0.499 . . . . 0.0 110.718 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.599 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 46.9 t-80 -92.49 115.84 28.45 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.294 -176.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.478 HG21 HG12 ' A' ' 16' ' ' ILE . 11.8 m -91.71 105.48 13.46 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.75 175.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.59 ' HD2' ' O ' ' A' ' 67' ' ' THR . 73.5 Cg_endo -78.17 -2.28 12.38 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.613 2.209 . . . . 0.0 112.649 -176.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.521 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 26.9 t70 -154.5 143.55 21.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.754 -177.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 36.1 p90 -146.45 136.2 23.23 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.992 175.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.568 ' HB2' ' HB2' ' A' ' 65' ' ' GLU . 30.0 m170 -100.55 120.81 40.58 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.147 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 123.15 -160.86 17.61 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.871 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 55.7 m -130.09 135.14 47.9 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.599 HD13 ' H ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -72.52 125.18 26.81 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.489 0.662 . . . . 0.0 111.289 -170.682 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.706 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.8 pt20 -130.55 157.46 42.64 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.068 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.662 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -109.42 106.39 16.14 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.563 -178.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -80.14 -74.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.068 0.461 . . . . 0.0 110.751 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.616 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 13.8 mt-10 -91.48 25.74 2.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.176 0.513 . . . . 0.0 110.98 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -133.5 147.8 51.66 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -82.89 -61.86 1.75 Allowed 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 121.162 -0.215 . . . . 0.0 111.543 -174.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.458 ' H ' ' HB3' ' A' ' 26' ' ' GLN . . . -119.3 154.16 33.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.847 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.662 HD13 ' HB2' ' A' ' 100' ' ' ALA . 1.3 tp -127.84 126.21 41.19 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.8 p -136.53 144.63 32.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.15 0.5 . . . . 0.0 111.883 -175.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -104.58 118.02 35.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.036 173.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.463 ' SG ' HD13 ' A' ' 24' ' ' LEU . 25.9 p -137.3 155.72 49.11 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.287 176.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.481 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 20.1 m -69.32 156.58 91.34 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.124 -177.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.562 ' O ' HD11 ' A' ' 127' ' ' LEU . 8.1 Cg_endo -51.21 -49.49 16.94 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.86 2.373 . . . . 0.0 112.771 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -63.42 -36.38 83.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.866 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.481 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 7.7 mm-40 -68.56 -41.14 80.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.408 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.72 -41.35 90.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.207 -174.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.579 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -73.13 -7.65 52.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.844 0.354 . . . . 0.0 111.391 -174.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -90.73 -0.29 57.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.066 0.46 . . . . 0.0 110.524 176.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.476 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 45.2 m-85 -106.25 164.33 15.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.952 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.476 ' HD2' ' HB3' ' A' ' 117' ' ' TYR . 49.3 Cg_endo -71.81 72.77 2.51 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.532 2.154 . . . . 0.0 112.345 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.44 HD21 HD23 ' A' ' 24' ' ' LEU . 67.9 mt -81.25 153.56 27.06 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.003 175.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.534 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -59.99 149.2 74.84 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.517 0.198 . . . . 0.0 110.522 176.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.98 -20.86 31.55 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.326 2.684 . . . . 0.0 113.932 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -89.98 -25.37 20.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 0.0 111.131 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.534 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.3 m-20 -79.32 -23.91 43.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.507 -175.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.518 HG23 HD11 ' A' ' 115' ' ' LEU . 74.4 mt -61.84 -58.73 16.23 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.161 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.441 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 17.7 Cg_endo -58.53 -26.87 80.33 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 122.547 2.165 . . . . 0.0 112.685 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.431 HD13 ' HB2' ' A' ' 88' ' ' ALA . 86.7 mt -75.7 -44.85 40.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.212 -178.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.579 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.3 tm? -70.15 -37.6 75.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.909 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -48.99 -46.27 43.55 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 176.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.435 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -80.88 -18.28 47.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.737 -177.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.407 ' HB2' HG11 ' A' ' 72' ' ' VAL . 92.8 t80 -73.38 -47.76 39.48 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -68.46 -32.53 72.61 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.528 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -57.49 -41.33 80.5 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.978 0.418 . . . . 0.0 110.839 171.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.9 mp -64.98 -36.56 84.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.035 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -80.3 -27.85 38.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -92.86 -40.18 10.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.817 0.342 . . . . 0.0 111.652 -174.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 120.866 0.365 . . . . 0.0 110.113 178.695 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm . . . . . 0 N--CA 1.448 -0.538 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.42 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 84.5 mtp -101.79 136.53 41.47 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.698 0.761 . . . . 0.0 111.537 -177.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.721 ' HB ' HG23 ' A' ' 84' ' ' ILE . 53.8 mt -113.13 117.38 55.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 114.447 -1.251 . . . . 0.0 109.385 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -98.05 124.12 42.4 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -178.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.602 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 93.2 t -126.48 128.92 71.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 m -106.77 135.51 44.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-O 121.052 0.453 . . . . 0.0 110.563 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.54 129.7 56.33 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.058 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.601 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.14 111.8 24.22 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.063 0.459 . . . . 0.0 110.039 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.48 HG23 HG23 ' A' ' 22' ' ' ILE . 7.2 mt -94.88 100.09 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 177.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.496 HD12 HD23 ' A' ' 23' ' ' LEU . 35.1 mt -91.83 106.31 17.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.409 -179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.581 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . 17.2 tt0 -112.25 124.27 52.09 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.125 -176.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.833 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -139.82 130.05 25.22 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.25 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 68.09 17.12 9.49 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.704 0.627 . . . . 0.0 111.332 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.64 10.03 63.81 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.413 -0.899 . . . . 0.0 111.758 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 15.8 mmtp -120.32 142.14 49.39 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -178.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.501 HG21 ' HE1' ' A' ' 39' ' ' PHE . 48.5 mt -103.7 140.13 22.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.0 -178.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.502 HD11 ' HB3' ' A' ' 106' ' ' LEU . 49.6 tp -77.28 116.52 17.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.176 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.583 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 54.6 mt -114.74 131.63 56.71 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.94 175.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.51 ' HB1' ' CB ' ' A' ' 103' ' ' HIS . . . -117.42 125.3 50.72 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.618 -177.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.29 -178.046 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 113.203 0.041 . . . . 0.0 113.203 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.58 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 5.9 mp -76.03 147.35 38.8 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.148 0.499 . . . . 0.0 111.984 -177.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.583 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 19.2 m95 -120.42 156.83 30.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.291 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -147.69 170.89 16.57 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.501 ' HE1' HG21 ' A' ' 22' ' ' ILE . 70.5 m-85 -81.08 145.7 30.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 174.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.92 160.13 31.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.713 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.76 -135.96 7.88 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.09 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.94 -171.68 35.01 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.839 -178.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 44' ' ' VAL . 53.0 tttm -78.36 155.35 30.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.415 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 59.4 t -106.37 129.35 59.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.424 178.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.468 ' C ' ' H ' ' A' ' 47' ' ' ASP . 36.3 mm-40 -91.49 152.57 43.71 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 174.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -68.26 12.29 0.24 Allowed 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 122.564 2.176 . . . . 0.0 112.39 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.468 ' H ' ' C ' ' A' ' 45' ' ' GLU . 32.3 t70 -105.15 -10.45 17.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.413 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -135.34 169.32 17.66 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.135 -173.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.5 m -91.78 160.0 15.54 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.166 176.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -70.69 -42.67 70.39 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -173.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -69.64 -31.74 70.0 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -65.06 -40.51 94.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.802 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.95 97.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.886 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.656 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 42.9 mt -62.97 -47.8 81.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.827 0.346 . . . . 0.0 110.8 178.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.96 -45.41 95.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.268 -177.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.591 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.3 ppt_? -69.41 -41.77 75.96 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.434 -0.507 . . . . 0.0 111.03 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 5.0 mm-40 -61.28 -52.13 66.0 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 178.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 28.0 mt -62.33 -35.49 79.25 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.521 -177.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 59' ' ' ARG . 16.4 ttt180 -59.63 -34.16 72.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.96 0.409 . . . . 0.0 110.914 174.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.591 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 21.0 mt-10 -87.26 -40.49 14.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.605 -177.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.633 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 4.8 pt-20 -92.77 -42.65 9.45 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -177.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.672 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 60.4 mt -101.55 2.86 39.51 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.459 -173.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.37 26.53 30.17 Favored Glycine 0 CA--C 1.522 0.484 0 C-N-CA 121.166 -0.54 . . . . 0.0 114.054 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.3 pt -125.32 142.18 42.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.652 0.739 . . . . 0.0 112.022 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -93.45 93.3 8.06 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.633 -1.167 . . . . 0.0 108.66 176.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.457 ' HA ' ' HA ' ' A' ' 94' ' ' PHE . . . -85.61 157.45 20.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.891 -172.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.545 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 28.3 m -117.78 104.88 11.4 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.387 175.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.4 t -80.83 121.33 34.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.171 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.496 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . -169.11 68.4 0.16 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 119.864 -1.16 . . . . 0.0 113.834 -174.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.569 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 14.0 pt-20 159.52 142.92 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.224 1.01 . . . . 0.0 109.406 175.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.425 ' HD1' ' NE1' ' A' ' 89' ' ' TRP . 8.5 t80 -104.83 126.51 51.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.571 -170.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.476 ' HA ' ' CD2' ' A' ' 133' ' ' LEU . 89.6 t -96.02 -70.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.952 175.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -162.1 177.16 9.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.036 0.446 . . . . 0.0 111.64 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.1 p -143.86 147.57 34.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.104 175.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -132.53 135.07 45.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.268 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -105.2 139.23 40.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.066 0.46 . . . . 0.0 110.228 173.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.495 ' HG3' HG13 ' A' ' 84' ' ' ILE . 21.6 ptt85 -152.82 174.9 13.49 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 174.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -120.66 150.52 40.8 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 119.773 -0.771 . . . . 0.0 111.075 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.644 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.3 p -116.94 93.28 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 171.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.4 m 41.77 71.69 0.2 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.196 -177.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.29 -24.02 18.62 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 114.755 0.662 . . . . 0.0 114.755 176.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.507 ' HB2' HG13 ' A' ' 79' ' ' VAL . 52.8 mtt180 -97.57 138.42 35.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.013 0.906 . . . . 0.0 110.262 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 8' ' ' MET . 1.9 mp -94.78 116.78 36.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.008 0.432 . . . . 0.0 111.044 -176.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.721 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -93.14 137.2 23.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.969 178.556 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -123.04 98.02 5.7 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.143 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.602 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 5.5 mp -90.94 135.74 33.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.869 0.366 . . . . 0.0 111.53 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -114.14 119.34 36.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.103 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -99.22 108.92 21.62 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.002 0.43 . . . . 0.0 110.614 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.533 ' HD1' ' O ' ' A' ' 70' ' ' GLU . 2.0 m-90 -106.25 149.87 26.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.383 176.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.581 ' NE2' ' HB3' ' A' ' 17' ' ' GLU . 50.5 t-80 -95.52 130.12 42.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.407 ' HB ' ' HA ' ' A' ' 16' ' ' ILE . 58.3 t -90.7 104.15 8.55 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.576 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 84.4 Cg_endo -80.74 -24.49 4.97 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.829 2.353 . . . . 0.0 112.58 -178.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -148.35 138.9 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.599 -175.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.476 ' HE1' ' HD2' ' A' ' 18' ' ' ARG . 45.3 p90 -146.99 136.92 23.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.194 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -107.4 120.5 42.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.923 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 128.97 -161.66 22.52 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.881 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.6 m -119.47 120.34 36.53 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.816 HD23 ' H ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -72.68 116.58 13.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.716 -175.17 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.672 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 8.9 pt20 -133.11 171.0 14.58 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.541 -1.208 . . . . 0.0 109.474 -174.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.495 ' HB1' ' O ' ' A' ' 103' ' ' HIS . . . -109.81 115.38 29.73 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.905 0.384 . . . . 0.0 110.821 178.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.633 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 16.4 t-80 -105.9 -55.73 2.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.44 178.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -91.51 -38.73 12.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.235 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.51 ' CB ' ' HB1' ' A' ' 25' ' ' ALA . 46.7 m80 -79.87 160.65 25.97 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -83.17 -52.02 6.98 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -173.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -147.2 165.78 29.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.86 -0.154 . . . . 0.0 110.614 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.502 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.8 mm? -117.47 140.97 48.91 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 123.186 0.304 . . . . 0.0 110.182 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.9 p -128.96 134.24 64.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 169.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.585 ' HE1' HD11 ' A' ' 98' ' ' LEU . 25.1 m-90 -100.5 113.42 26.2 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 176.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 12.4 p -136.4 152.66 50.86 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.486 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.423 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 3.1 m -65.7 160.95 57.29 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.039 -178.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.56 ' O ' HD11 ' A' ' 127' ' ' LEU . 5.6 Cg_endo -49.53 -48.2 19.86 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.786 2.324 . . . . 0.0 112.76 179.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.64 -32.52 74.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.763 0.316 . . . . 0.0 111.101 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.452 ' O ' ' HD1' ' A' ' 117' ' ' TYR . 24.1 mm-40 -71.81 -38.25 70.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.836 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.56 -39.72 81.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.787 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.598 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -74.63 -14.3 60.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.772 0.32 . . . . 0.0 110.547 -177.632 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -80.09 -13.92 58.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.066 0.46 . . . . 0.0 110.512 175.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.452 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 35.6 m-85 -89.89 159.59 42.67 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.398 -178.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.58 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 41.5 Cg_endo -70.22 82.43 0.85 Allowed 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.279 1.986 . . . . 0.0 111.626 176.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 71.0 mt -91.19 153.01 20.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.191 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.534 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -66.25 156.17 85.75 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.506 177.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.23 -23.57 37.63 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.191 2.594 . . . . 0.0 113.502 -177.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.428 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -87.34 -28.1 22.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.612 0.244 . . . . 0.0 111.115 -179.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.534 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.8 m-20 -78.4 -24.0 46.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.146 0.498 . . . . 0.0 110.501 -175.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.509 ' HB ' ' HD3' ' A' ' 125' ' ' PRO . 79.5 mt -61.3 -60.34 10.82 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.129 -177.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.509 ' HD3' ' HB ' ' A' ' 124' ' ' ILE . 28.4 Cg_endo -63.39 -24.44 71.28 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.536 2.157 . . . . 0.0 112.666 -178.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 93.1 mt -73.65 -43.51 59.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.598 ' HB3' HD23 ' A' ' 115' ' ' LEU . 2.8 tm? -72.28 -37.32 69.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.132 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -51.64 -44.65 63.04 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.818 0.342 . . . . 0.0 110.817 175.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.491 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -80.38 -15.36 57.02 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.542 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.456 ' HB3' HD22 ' A' ' 127' ' ' LEU . 66.2 t80 -76.26 -47.19 24.72 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 177.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 16.1 ptp -65.52 -35.89 82.22 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.138 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.491 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -59.37 -39.82 84.5 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.984 0.421 . . . . 0.0 110.719 171.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.476 ' CD2' ' HA ' ' A' ' 72' ' ' VAL . 0.9 OUTLIER -67.78 -30.09 69.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.972 -178.196 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.517 ' HD3' ' HG3' ' A' ' 111' ' ' PRO . 51.6 mtp85 -86.13 -24.12 26.35 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 177.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -88.63 -39.56 13.97 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.783 -176.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.964 178.717 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? . . . . . 0 CA--C 1.519 -0.236 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 54.5 mtp -104.9 134.13 48.53 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.733 0.778 . . . . 0.0 112.063 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.734 ' HB ' HG23 ' A' ' 84' ' ' ILE . 36.5 mt -115.21 114.7 47.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.163 176.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -94.46 127.13 40.17 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.581 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 90.1 t -132.4 130.08 59.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.462 HG12 ' HB2' ' A' ' 87' ' ' HIS . 1.7 m -106.14 135.9 42.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-O 121.047 0.451 . . . . 0.0 110.27 176.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.7 132.8 56.43 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.637 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.1 123.92 46.8 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.13 0.49 . . . . 0.0 110.275 -176.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.43 HG12 ' HD2' ' A' ' 39' ' ' PHE . 3.8 mt -94.68 99.81 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 176.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.549 HG12 HG21 ' A' ' 91' ' ' VAL . 34.9 mt -94.64 109.77 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.238 -174.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 65.8 tt0 -106.65 134.45 49.78 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.559 -174.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -143.23 120.58 11.6 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 65.99 10.98 7.41 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.437 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.74 2.41 43.05 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.174 -1.012 . . . . 0.0 112.261 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 10.0 mttp -114.81 151.64 33.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.412 ' CG2' HG23 ' A' ' 15' ' ' ILE . 7.1 mt -104.33 147.88 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -178.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.608 HD11 ' HB3' ' A' ' 106' ' ' LEU . 52.5 tp -85.92 117.5 24.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.194 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 mp -109.86 139.16 45.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.088 177.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.94 121.69 39.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.855 0.36 . . . . 0.0 111.5 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.964 -178.448 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.728 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.536 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 6.4 mp -76.82 149.63 36.19 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.954 0.407 . . . . 0.0 110.783 177.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.575 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 56.2 m95 -117.7 154.68 31.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.14 -178.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -154.64 162.66 41.03 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 174.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.43 ' HD2' HG12 ' A' ' 15' ' ' ILE . 9.6 m-30 -80.6 139.06 36.46 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.88 161.61 29.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.945 0.403 . . . . 0.0 111.352 -175.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.02 -133.8 3.1 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.43 176.51 37.02 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.232 -0.985 . . . . 0.0 113.107 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -78.62 148.67 33.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.1 t -100.62 111.42 30.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.869 -178.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -74.12 143.62 80.72 Favored Pre-proline 0 C--N 1.317 -0.838 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.63 -9.1 17.09 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.595 2.197 . . . . 0.0 112.846 -176.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -98.15 -3.07 38.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.113 0.482 . . . . 0.0 110.141 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.555 ' HB2' HE21 ' A' ' 52' ' ' GLN . 20.7 pt-20 -127.07 159.26 34.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.527 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 p -96.66 168.09 10.73 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.363 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -60.4 -53.57 56.05 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -172.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.431 ' O ' HG23 ' A' ' 55' ' ' VAL . 81.5 mtt180 -63.22 -34.43 77.63 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.491 0.662 . . . . 0.0 109.607 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.555 HE21 ' HB2' ' A' ' 48' ' ' GLU . 30.1 tt0 -68.73 -42.3 77.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.277 -176.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.5 -45.52 93.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.718 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.662 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 24.1 mt -60.33 -46.71 88.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 110.893 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 51' ' ' ARG . 53.3 t -60.07 -43.42 92.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.3 -177.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.685 ' HD3' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -71.99 -45.12 62.15 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.768 178.492 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.685 ' N ' ' HD3' ' A' ' 56' ' ' ARG . 5.4 mm-40 -61.52 -42.9 99.5 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -176.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 41.7 mt -69.83 -29.57 66.87 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.249 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -68.82 -39.26 80.13 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.714 173.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.636 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 39.6 mt-10 -78.7 -33.5 46.79 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -176.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.524 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 4.1 mt-10 -89.5 -52.18 5.15 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.811 172.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.77 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 23.4 mt -101.05 6.11 43.26 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -166.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 45.05 34.25 4.11 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 114.869 0.707 . . . . 0.0 114.869 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.555 HG12 ' HB2' ' A' ' 62' ' ' LEU . 34.6 pt -123.59 145.12 31.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 117.985 0.892 . . . . 0.0 111.874 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.489 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 34.1 mt-10 -90.25 95.72 10.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.009 174.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.43 ' CB ' HD12 ' A' ' 58' ' ' LEU . . . -87.63 154.63 20.44 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.979 0.419 . . . . 0.0 111.478 -175.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.597 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 64.9 m -116.24 110.21 18.46 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.784 175.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 t -85.71 121.85 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -124.4 -83.72 0.58 Allowed Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.288 -0.958 . . . . 0.0 113.007 -174.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.572 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 15.4 pt-20 -89.17 134.02 34.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.399 0.619 . . . . 0.0 111.643 -173.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.543 ' HB3' ' CZ3' ' A' ' 89' ' ' TRP . 55.1 m-85 -81.15 132.78 35.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.126 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.536 ' HB ' ' O ' ' A' ' 88' ' ' ALA . 86.5 t -94.05 -70.8 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 120.76 0.314 . . . . 0.0 110.898 177.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -163.77 179.79 6.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.471 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.9 m -145.42 151.65 38.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.766 177.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -137.95 147.41 44.27 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -112.45 144.06 42.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.321 0.581 . . . . 0.0 111.693 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.638 ' HG3' HG13 ' A' ' 84' ' ' ILE . 16.4 ptt180 -154.97 173.89 15.92 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 173.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -119.74 151.45 38.75 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 119.562 -0.855 . . . . 0.0 111.067 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.602 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.9 p -122.38 95.1 3.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.343 172.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 p 45.31 67.87 0.66 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.078 -175.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.99 -19.15 23.33 Favored Glycine 0 CA--C 1.522 0.476 0 C-N-CA 121.072 -0.585 . . . . 0.0 114.364 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.478 ' HB2' HG13 ' A' ' 79' ' ' VAL . 63.6 mtt180 -95.75 133.62 39.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.569 0.684 . . . . 0.0 110.108 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mp -93.87 113.07 27.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-O 121.05 0.452 . . . . 0.0 110.443 -175.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.734 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -90.87 131.25 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.621 178.67 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -116.63 97.28 5.91 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.269 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.581 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.6 mp -89.91 130.36 36.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -176.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.559 ' HB3' ' CZ2' ' A' ' 89' ' ' TRP . 71.8 m-70 -113.87 113.54 25.02 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.809 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.536 ' O ' ' HB ' ' A' ' 72' ' ' VAL . . . -93.77 104.99 17.05 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.166 177.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.559 ' CZ2' ' HB3' ' A' ' 87' ' ' HIS . 2.6 m95 -109.12 142.58 39.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.014 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.572 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 29.3 t-80 -90.87 117.74 29.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.417 -177.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.549 HG21 HG12 ' A' ' 16' ' ' ILE . 14.2 m -95.15 107.06 29.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 174.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.597 ' HD2' ' O ' ' A' ' 67' ' ' THR . 60.1 Cg_endo -71.28 -14.71 31.47 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.728 2.285 . . . . 0.0 112.984 -174.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -158.56 152.55 23.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.098 0.475 . . . . 0.0 111.357 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.441 ' CE2' HD23 ' A' ' 98' ' ' LEU . 41.5 p90 -144.55 140.3 28.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.432 178.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 41.2 t-80 -108.36 124.83 50.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.694 0.283 . . . . 0.0 110.551 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.74 -166.53 17.37 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.472 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.3 m -115.53 117.24 29.8 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.554 HD21 ' HZ2' ' A' ' 108' ' ' TRP . 0.9 OUTLIER -73.72 124.44 26.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.739 0.781 . . . . 0.0 111.049 -173.527 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.77 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 20.0 pt20 -124.89 159.31 31.42 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.71 -1.132 . . . . 0.0 108.69 -177.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' A' ' 103' ' ' HIS . . . -107.02 107.18 18.06 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.533 177.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -89.17 -56.55 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.389 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.524 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 13.9 mt-10 -87.69 -51.52 5.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.706 177.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.482 ' O ' ' HB1' ' A' ' 100' ' ' ALA . 77.2 m80 -69.81 163.93 24.74 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 177.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -86.6 -63.84 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -173.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -131.7 167.92 18.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.132 -175.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.608 ' HB3' HD11 ' A' ' 23' ' ' LEU . 2.4 mm? -121.77 139.21 53.88 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 -178.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.4 p -135.15 139.58 46.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.886 0.374 . . . . 0.0 110.989 173.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.554 ' HZ2' HD21 ' A' ' 98' ' ' LEU . 97.4 m95 -97.76 117.86 33.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.282 174.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 26.3 p -139.87 155.93 46.97 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 174.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.9 m -72.86 156.54 89.75 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -177.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.517 ' O ' HD11 ' A' ' 127' ' ' LEU . 3.9 Cg_endo -46.52 -49.05 12.51 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.467 2.778 . . . . 0.0 113.395 -177.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -66.4 -35.62 80.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.306 -177.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -70.4 -39.18 74.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.789 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.61 -39.06 72.95 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.123 -176.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.568 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -72.34 -14.2 61.67 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.862 0.363 . . . . 0.0 110.577 -175.158 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -87.18 -7.85 57.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.943 0.401 . . . . 0.0 110.593 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -83.83 160.91 57.31 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 176.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.536 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 50.3 Cg_endo -71.01 75.4 1.74 Allowed 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 121.973 1.782 . . . . 0.0 111.153 175.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.575 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 74.5 mt -80.99 153.45 27.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.697 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.8 148.35 76.19 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.35 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -55.4 -27.33 57.83 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.833 2.355 . . . . 0.0 113.214 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.504 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -92.39 -17.17 24.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.248 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -79.78 -28.79 40.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.338 0.589 . . . . 0.0 110.07 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.549 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 75.8 mt -63.48 -57.63 19.06 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.771 -174.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 18.9 Cg_endo -57.98 -27.15 78.04 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.496 2.131 . . . . 0.0 112.819 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.477 HD11 ' HB3' ' A' ' 86' ' ' LEU . 98.6 mt -73.65 -38.94 64.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.267 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.568 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.2 tm? -76.28 -37.39 57.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.762 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 32.2 mt-10 -56.76 -40.8 76.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.525 0.202 . . . . 0.0 111.081 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.29 -25.58 51.47 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.269 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -67.82 -45.69 74.01 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.7 ptm -70.62 -35.16 72.8 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.014 176.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.57 -50.94 71.98 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.967 0.413 . . . . 0.0 111.558 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.18 -26.69 68.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.724 -173.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.462 HH11 ' HD2' ' A' ' 134' ' ' ARG . 19.0 mtp180 -92.93 -22.11 19.41 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.685 -177.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.99 -38.1 13.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.991 0.425 . . . . 0.0 110.831 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.29 179.936 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.403 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 51.2 mtt -97.94 131.9 43.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.545 0.688 . . . . 0.0 110.826 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.745 ' HB ' HG23 ' A' ' 84' ' ' ILE . 37.1 mt -105.4 117.03 50.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.017 -0.992 . . . . 0.0 108.964 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -93.67 123.97 37.35 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 92.6 t -128.53 129.05 68.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 m -102.0 133.73 44.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-O 121.053 0.454 . . . . 0.0 110.218 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.81 132.56 55.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.07 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.581 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.89 117.16 34.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.154 0.502 . . . . 0.0 110.816 -177.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.414 HG23 ' CG2' ' A' ' 22' ' ' ILE . 4.4 mt -97.73 100.95 11.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 174.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.574 HD12 HD23 ' A' ' 23' ' ' LEU . 36.8 mt -91.65 104.79 15.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.282 -176.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.626 ' HB3' ' HE2' ' A' ' 90' ' ' HIS . 39.9 tt0 -111.93 113.97 26.6 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.137 -175.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.99 143.48 42.82 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 176.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 69.48 7.56 6.3 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.509 0.506 . . . . 0.0 111.004 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.28 -0.95 64.16 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -177.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 15.7 mmtp -113.96 154.69 27.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.462 -0.369 . . . . 0.0 110.345 -176.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.633 HG21 ' HE1' ' A' ' 39' ' ' PHE . 23.1 mt -104.19 142.85 16.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.574 HD23 HD12 ' A' ' 16' ' ' ILE . 39.2 tp -81.13 119.23 23.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.101 0.477 . . . . 0.0 110.621 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.602 HD13 ' SG ' ' A' ' 109' ' ' CYS . 8.5 mp -114.99 133.75 55.77 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.072 176.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 37' ' ' TRP . . . -108.38 127.22 53.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.3 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 C--N 1.318 -0.769 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.36 174.157 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.608 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.511 ' H ' HD22 ' A' ' 36' ' ' LEU . 2.0 mm? -74.27 141.99 45.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.666 0.269 . . . . 0.0 110.465 177.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.545 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 35.4 m0 -107.38 147.74 29.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.198 175.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.48 173.65 13.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.896 0.379 . . . . 0.0 111.528 177.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.633 ' HE1' HG21 ' A' ' 22' ' ' ILE . 96.5 m-85 -92.38 118.8 31.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.504 176.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.433 ' HB3' HD11 ' A' ' 62' ' ' LEU . . . -61.73 164.29 6.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.732 -177.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.82 -133.45 3.62 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -176.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.424 ' HA3' ' OE2' ' A' ' 57' ' ' GLU . . . 161.3 179.36 35.97 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.734 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -78.1 150.61 33.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.945 0.402 . . . . 0.0 110.48 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.7 t -99.11 126.3 52.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.649 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 33.7 mm-40 -84.91 143.75 40.71 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 171.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -55.1 -29.3 64.99 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.71 2.273 . . . . 0.0 113.094 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -70.7 -28.56 64.85 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 18.4 pt-20 -104.17 163.45 12.39 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.428 0.633 . . . . 0.0 111.551 -173.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.2 m -96.38 167.2 11.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.734 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -57.42 -57.03 14.43 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.119 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.532 ' O ' HG23 ' A' ' 55' ' ' VAL . 83.2 mtt180 -65.94 -28.5 68.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.208 0.528 . . . . 0.0 109.703 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -71.34 -43.45 66.97 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.394 -172.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.47 -47.33 86.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.875 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.683 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 31.5 mt -61.45 -43.18 99.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.726 0.298 . . . . 0.0 111.27 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 51' ' ' ARG . 53.8 t -61.96 -43.18 97.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.034 -177.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.507 ' HG3' ' N ' ' A' ' 57' ' ' GLU . 13.1 ptt85 -73.36 -44.47 58.65 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.241 -0.583 . . . . 0.0 110.879 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.507 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 5.3 mm-40 -58.2 -46.84 85.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.713 0.292 . . . . 0.0 111.538 -178.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 27.5 mt -69.38 -28.93 66.61 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.09 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 59' ' ' ARG . 21.6 ttt180 -65.1 -36.72 85.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.834 0.349 . . . . 0.0 110.86 174.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 28.8 mt-10 -82.55 -44.24 16.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.281 -177.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.419 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 76.8 mm-40 -91.52 -36.21 13.85 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -175.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.569 HD12 HD22 ' A' ' 58' ' ' LEU . 63.1 mt -110.09 3.85 20.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -174.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 55.6 21.87 30.07 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 114.914 0.725 . . . . 0.0 114.914 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.488 HG23 ' HA ' ' A' ' 98' ' ' LEU . 36.2 pt -122.83 144.55 31.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 118.105 0.952 . . . . 0.0 111.808 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.563 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 28.4 mt-10 -92.18 93.97 8.96 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 173.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.438 ' CB ' HD12 ' A' ' 58' ' ' LEU . . . -78.76 150.26 32.47 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.072 0.463 . . . . 0.0 111.938 -172.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.593 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 57.4 m -109.53 103.98 12.96 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 172.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.53 ' HA ' HG12 ' A' ' 91' ' ' VAL . 39.4 t -85.31 134.75 26.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.498 -175.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.657 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 177.34 74.87 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.221 -0.99 . . . . 0.0 112.596 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.657 ' HG2' ' O ' ' A' ' 69' ' ' GLY . 30.9 mm-40 173.04 103.74 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.122 1.369 . . . . 0.0 109.383 178.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -84.38 113.65 21.32 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 81.2 t -95.73 -70.17 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.801 0.334 . . . . 0.0 111.695 -176.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.98 168.84 22.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.975 0.417 . . . . 0.0 111.45 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.0 p -136.97 143.57 42.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.66 175.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -135.77 135.85 40.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.716 0.293 . . . . 0.0 110.468 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -109.23 145.62 35.58 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.435 0.636 . . . . 0.0 111.115 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -160.76 175.34 12.71 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -119.49 150.5 40.13 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.563 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.625 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.7 p -120.67 95.26 3.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.731 172.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.4 m 47.93 67.5 0.82 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.6 -177.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.7 -23.74 8.52 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 121.06 -0.59 . . . . 0.0 114.483 177.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.431 ' HB2' HG13 ' A' ' 79' ' ' VAL . 75.5 mtt180 -93.07 137.56 32.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.776 0.788 . . . . 0.0 110.158 -177.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 8' ' ' MET . 2.0 mp -94.85 114.2 30.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.075 0.464 . . . . 0.0 110.562 -175.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.745 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -90.79 138.29 19.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.81 178.615 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -118.95 100.79 7.59 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.231 -0.895 . . . . 0.0 108.902 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.457 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.5 mp -89.8 128.76 36.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.993 0.425 . . . . 0.0 111.294 -177.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -109.63 113.02 25.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.261 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.7 107.08 18.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.009 0.433 . . . . 0.0 110.711 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -107.01 130.41 54.65 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.427 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.626 ' HE2' ' HB3' ' A' ' 17' ' ' GLU . 14.8 t-80 -90.54 118.72 30.22 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.44 177.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.53 HG12 ' HA ' ' A' ' 68' ' ' VAL . 17.4 m -91.18 109.78 37.92 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-O 121.23 0.538 . . . . 0.0 109.98 177.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.593 ' HD2' ' O ' ' A' ' 67' ' ' THR . 56.0 Cg_endo -72.57 -11.99 26.63 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.666 2.244 . . . . 0.0 112.601 -178.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -155.62 150.81 26.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.243 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 36.6 p90 -147.15 138.37 23.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.697 174.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.563 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 33.1 t-80 -101.32 130.39 47.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.135 -178.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 109.36 -156.35 15.66 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.812 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.1 m -129.48 139.08 51.69 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.588 HD11 ' CZ2' ' A' ' 108' ' ' TRP . 0.7 OUTLIER -81.72 124.99 30.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.808 0.813 . . . . 0.0 111.394 -173.206 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.436 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 17.2 pt20 -138.3 137.72 37.7 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.716 -176.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.647 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -93.22 122.58 35.76 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -171.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 17.2 t-80 -85.55 -77.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.515 175.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.419 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 42.5 mm-40 -79.35 -29.55 42.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.176 0.513 . . . . 0.0 111.264 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.425 ' HB3' ' HB1' ' A' ' 25' ' ' ALA . 10.0 m-70 -81.78 157.14 24.6 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -178.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -93.41 -67.57 0.85 Allowed 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.337 -172.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.05 150.71 36.85 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.734 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.647 HD13 ' HB2' ' A' ' 100' ' ' ALA . 4.0 mp -123.16 130.21 52.46 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.428 HG11 ' CZ3' ' A' ' 37' ' ' TRP . 12.3 p -134.12 148.02 30.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.873 0.368 . . . . 0.0 111.171 -176.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.588 ' CZ2' HD11 ' A' ' 98' ' ' LEU . 22.2 m-90 -105.41 112.43 25.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.497 175.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.602 ' SG ' HD13 ' A' ' 24' ' ' LEU . 25.9 p -133.18 155.04 50.04 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.602 178.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.4 m -68.15 152.9 96.15 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.031 -178.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.567 ' O ' HD11 ' A' ' 127' ' ' LEU . 6.5 Cg_endo -49.32 -47.49 22.09 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.011 2.474 . . . . 0.0 112.788 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -64.84 -35.8 82.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.866 0.365 . . . . 0.0 111.193 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -74.43 -33.73 63.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.476 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.97 87.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.557 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.619 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -75.39 -11.97 60.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.989 0.423 . . . . 0.0 110.68 -176.138 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -80.48 -10.25 59.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.239 0.543 . . . . 0.0 110.321 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.647 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 36.9 m-85 -103.11 170.11 6.64 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.219 -174.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.647 ' HD2' ' HB3' ' A' ' 117' ' ' TYR . 62.0 Cg_endo -73.26 73.76 3.2 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.244 1.963 . . . . 0.0 112.496 -177.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.545 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 27.8 mt -81.02 149.01 29.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.68 175.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.609 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -65.25 154.78 86.53 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.863 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.401 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 8.2 Cg_endo -50.2 -33.67 36.78 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.651 2.901 . . . . 0.0 114.13 -175.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.455 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -85.23 -21.89 28.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.781 0.324 . . . . 0.0 111.423 -176.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.609 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.7 m-20 -82.08 -23.83 35.55 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.819 -173.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.443 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 76.4 mt -62.71 -58.07 18.68 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.234 -177.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.443 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 19.1 Cg_endo -59.85 -24.53 76.38 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 122.477 2.118 . . . . 0.0 112.61 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.3 mt -76.35 -44.42 36.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.102 0.477 . . . . 0.0 110.033 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.619 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.1 tm? -71.16 -37.54 72.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.068 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -50.76 -45.56 59.03 Favored 'General case' 0 N--CA 1.461 0.099 0 O-C-N 123.15 0.281 . . . . 0.0 111.03 175.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.494 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -80.85 -17.19 51.53 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.673 -178.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -75.81 -48.04 23.27 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.1 ptm -67.34 -33.46 75.29 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.398 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -60.41 -39.7 88.35 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.93 0.395 . . . . 0.0 110.86 172.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.82 -37.73 85.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.581 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -79.15 -20.85 47.49 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -87.27 -37.35 17.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.968 0.413 . . . . 0.0 110.609 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.49 179.208 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.7 mttp . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 120.999 0.428 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 64.7 mtt -105.71 144.96 31.73 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.091 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.829 ' HB ' HG23 ' A' ' 84' ' ' ILE . 20.6 mt -106.42 115.5 48.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 173.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.53 113.33 24.98 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -171.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 99.4 t -124.22 127.91 73.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.097 0.475 . . . . 0.0 109.837 -175.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 m -98.88 131.26 46.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 176.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.34 131.93 55.26 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -177.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.573 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.13 119.95 39.65 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 121.113 0.482 . . . . 0.0 110.77 -175.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.562 HG12 ' CD2' ' A' ' 39' ' ' PHE . 4.5 mt -94.88 100.04 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.162 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 173.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.542 HD12 HD23 ' A' ' 23' ' ' LEU . 35.4 mt -91.73 101.73 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.533 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . 3.3 tm-20 -119.83 126.08 50.12 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.703 -173.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 19' ' ' ASP . 16.3 tpt180 -149.2 143.73 26.11 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 177.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.472 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 18.1 t70 81.46 -22.49 0.26 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.374 0.67 . . . . 0.0 110.939 -174.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.04 5.55 28.74 Favored Glycine 0 N--CA 1.441 -0.975 0 N-CA-C 109.776 -1.329 . . . . 0.0 109.776 -163.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 4.7 mttp -114.32 145.79 41.32 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.177 -0.512 . . . . 0.0 109.884 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.414 ' CG2' HG23 ' A' ' 15' ' ' ILE . 24.1 mt -106.74 147.23 12.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.542 HD23 HD12 ' A' ' 16' ' ' ILE . 53.9 tp -89.09 122.63 32.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.239 0.543 . . . . 0.0 111.35 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.522 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 7.2 mp -111.9 138.82 48.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.93 178.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.26 114.82 22.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.302 0.572 . . . . 0.0 110.709 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.611 -175.454 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.638 0 N-CA-C 112.794 -0.123 . . . . 0.0 112.794 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.558 ' HA ' ' HG2' ' A' ' 118' ' ' PRO . 4.0 mp -86.99 153.89 21.2 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.215 0.531 . . . . 0.0 111.58 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -118.85 154.18 33.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.387 -174.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.704 ' HG3' ' HE1' ' A' ' 103' ' ' HIS . 10.4 pt-20 -156.12 161.99 40.29 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 172.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.562 ' CD2' HG12 ' A' ' 15' ' ' ILE . 6.8 m-30 -82.14 145.75 29.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.939 0.4 . . . . 0.0 110.218 -176.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.53 164.76 26.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.293 -175.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.61 -136.76 4.89 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -178.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.05 175.38 34.86 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.383 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -78.23 150.66 33.41 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.4 t -91.77 126.34 44.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.381 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.594 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 42.8 mt-10 -97.41 135.68 21.67 Favored Pre-proline 0 C--N 1.319 -0.731 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 173.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.03 14.73 0.07 OUTLIER 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.548 2.832 . . . . 0.0 115.237 -168.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -102.2 -21.26 14.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.407 0.622 . . . . 0.0 110.641 173.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 14.6 pt-20 -109.85 152.36 25.87 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.758 -174.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.3 t -81.89 161.91 22.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.958 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -54.95 -40.68 70.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.725 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.525 ' O ' HG23 ' A' ' 55' ' ' VAL . 81.5 mtt180 -67.36 -40.79 85.83 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 110.012 178.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -67.31 -40.11 85.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.094 -175.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.69 -46.48 87.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.454 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.745 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 67.6 mt -59.97 -48.35 82.06 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.163 0.506 . . . . 0.0 110.337 177.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 51' ' ' ARG . 71.2 t -59.78 -46.58 93.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.527 -176.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.62 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 8.0 ppt_? -77.15 -40.13 46.67 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.342 -176.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.412 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 4.5 mm-40 -61.64 -40.76 96.01 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.168 -0.213 . . . . 0.0 111.399 177.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 40.7 mt -70.73 -29.06 65.21 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 120.262 -0.575 . . . . 0.0 109.847 176.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -66.24 -37.09 84.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.893 0.378 . . . . 0.0 110.674 173.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.62 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 31.2 mt-10 -81.11 -39.35 25.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.618 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.692 ' CD ' ' HB2' ' A' ' 102' ' ' GLU . 1.0 OUTLIER -84.51 -53.26 5.54 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.792 0.294 . . . . 0.0 111.792 179.057 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.73 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 25.2 mt -104.1 8.51 36.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.709 -167.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 46.64 31.71 5.32 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 114.986 0.755 . . . . 0.0 114.986 -175.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.565 HG12 ' HB2' ' A' ' 62' ' ' LEU . 42.3 pt -122.52 142.85 37.38 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 CA-C-N 118.167 0.984 . . . . 0.0 111.574 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -89.06 97.61 11.3 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.856 175.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.491 ' HB1' HG11 ' A' ' 91' ' ' VAL . . . -82.2 150.5 27.33 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.296 0.57 . . . . 0.0 111.873 -174.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.551 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 27.8 m -115.18 112.21 22.16 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.21 173.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.0 t -96.92 128.95 47.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.732 -175.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.85 64.67 0.1 OUTLIER Glycine 0 C--N 1.333 0.41 0 C-N-CA 119.856 -1.164 . . . . 0.0 114.036 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.485 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 11.5 pt-20 164.18 109.17 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.027 0.931 . . . . 0.0 109.827 177.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -79.5 127.02 31.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.124 -174.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.412 ' HA ' HD22 ' A' ' 133' ' ' LEU . 91.1 t -94.6 -70.04 0.65 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.309 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -167.96 -176.72 3.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.87 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.3 m -148.07 150.65 34.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.544 176.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -140.09 146.64 39.16 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -112.86 142.09 45.92 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.291 0.567 . . . . 0.0 111.235 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.633 ' HD3' ' HB2' ' A' ' 122' ' ' ALA . 28.2 ptt180 -145.08 160.29 41.63 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 176.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -108.61 142.0 39.71 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 119.091 -1.043 . . . . 0.0 110.137 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.765 HG11 HD12 ' A' ' 9' ' ' ILE . 2.1 p -112.32 93.22 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 174.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.3 m 36.54 66.84 0.36 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.677 -1.147 . . . . 0.0 112.551 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.6 -22.36 34.29 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 120.701 -0.761 . . . . 0.0 114.579 176.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.527 ' HD2' HD11 ' A' ' 9' ' ' ILE . 50.3 mtt180 -110.63 152.23 26.73 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 117.836 0.818 . . . . 0.0 110.493 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.428 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.7 mp -102.48 113.27 38.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.829 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -86.07 134.14 28.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.15 0.5 . . . . 0.0 110.212 177.334 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -112.75 97.7 6.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.481 -177.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.574 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.9 mp -90.71 124.04 34.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.722 0.296 . . . . 0.0 111.247 -176.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -109.04 116.81 32.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.905 175.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -96.62 116.11 28.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.173 0.511 . . . . 0.0 111.203 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -116.76 147.53 41.97 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.252 175.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.533 ' NE2' ' HB3' ' A' ' 17' ' ' GLU . 10.0 t-160 -96.55 127.49 42.59 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 173.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.491 HG11 ' HB1' ' A' ' 66' ' ' ALA . 13.8 m -91.26 105.23 11.89 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-O 121.168 0.509 . . . . 0.0 109.689 174.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.551 ' HD2' ' O ' ' A' ' 67' ' ' THR . 26.0 Cg_endo -62.86 -22.23 73.7 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.767 2.312 . . . . 0.0 112.078 179.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -145.23 144.29 30.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.875 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -146.1 132.89 20.03 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.722 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -112.5 119.23 37.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.741 -176.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 131.67 -165.13 23.43 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.183 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.1 m -115.91 113.78 23.77 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.531 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -69.04 121.14 16.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.667 0.746 . . . . 0.0 111.086 -176.05 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.73 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 10.8 pt20 -132.92 167.76 19.66 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.286 -177.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.571 ' HB2' HD11 ' A' ' 106' ' ' LEU . . . -102.23 137.39 40.55 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.427 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.592 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 16.1 t60 -125.07 -58.14 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.692 ' HB2' ' CD ' ' A' ' 61' ' ' GLU . 6.4 mm-40 -85.29 -42.26 14.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.707 177.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.704 ' HE1' ' HG3' ' A' ' 38' ' ' GLU . 11.7 m-70 -86.11 -179.39 6.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.913 175.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -112.52 -69.8 0.84 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -172.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.25 162.49 14.03 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.342 -0.224 . . . . 0.0 110.593 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 100' ' ' ALA . 5.6 mp -137.93 136.8 37.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.027 0.441 . . . . 0.0 111.025 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.2 p -132.95 146.6 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.744 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -103.75 117.92 35.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.995 174.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 26.2 p -140.51 155.49 46.62 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.006 175.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.491 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 24.6 m -72.07 160.21 83.32 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 -177.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.491 ' HD2' ' HB3' ' A' ' 110' ' ' SER . 2.6 Cg_endo -46.94 -50.76 10.34 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.473 2.782 . . . . 0.0 113.596 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -67.75 -35.36 78.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.9 0.381 . . . . 0.0 110.692 -177.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.425 ' HA ' ' NE2' ' A' ' 116' ' ' GLN . 43.6 mm-40 -68.05 -38.87 82.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.734 177.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.57 -41.55 73.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.596 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.639 ' HG ' HD12 ' A' ' 127' ' ' LEU . 14.3 mt -72.9 -12.34 60.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.039 -176.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 113' ' ' GLU . 50.5 mt-30 -83.87 -11.96 56.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.017 0.437 . . . . 0.0 110.562 175.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.461 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 48.4 m-85 -89.64 164.43 29.25 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.335 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.558 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 42.9 Cg_endo -72.75 79.79 1.86 Allowed 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.324 2.016 . . . . 0.0 111.708 177.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.419 HD12 HD23 ' A' ' 115' ' ' LEU . 63.6 mt -89.75 152.88 21.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.423 178.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.489 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -66.24 155.85 86.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 176.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.415 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 19.0 Cg_endo -59.37 -14.48 25.07 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.086 2.524 . . . . 0.0 113.698 -176.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.633 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -96.31 -26.38 15.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.544 0.211 . . . . 0.0 111.04 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.489 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 2.4 m-20 -78.25 -24.86 46.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.431 -175.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.461 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 81.4 mt -65.07 -58.79 11.55 Favored Pre-proline 0 CA--C 1.539 0.528 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.905 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.461 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 12.3 Cg_endo -57.9 -30.63 90.31 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 122.555 2.17 . . . . 0.0 112.775 178.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 95.9 mt -70.67 -38.58 73.79 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.139 0.495 . . . . 0.0 109.939 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.639 HD12 ' HG ' ' A' ' 115' ' ' LEU . 1.8 tm? -72.15 -39.5 68.7 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.748 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -52.21 -42.4 63.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.769 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.503 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -82.54 -19.29 38.9 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -73.1 -45.76 55.22 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 177.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.6 ptm -70.95 -31.19 67.7 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.505 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.503 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -61.23 -40.57 94.52 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 120.794 0.33 . . . . 0.0 110.996 172.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 72' ' ' VAL . 1.4 mp -66.71 -37.15 84.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.453 -177.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -81.6 -15.45 54.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.035 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.43 -37.18 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 111.036 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.648 178.926 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.738 ' HB2' ' HG2' ' A' ' 82' ' ' ARG . 85.8 mttt . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.6 mtt -101.93 130.47 48.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.523 0.677 . . . . 0.0 111.391 -175.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.768 ' HB ' HG23 ' A' ' 84' ' ' ILE . 41.4 mt -109.29 111.6 36.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 114.594 -1.184 . . . . 0.0 108.533 177.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -96.38 120.23 36.31 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -176.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.467 ' HB ' ' HG ' ' A' ' 86' ' ' LEU . 60.0 t -123.24 139.0 51.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -178.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.443 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 2.6 m -111.78 133.65 56.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-O 121.062 0.458 . . . . 0.0 110.421 175.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.25 131.51 55.89 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.635 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.93 119.17 38.38 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.17 0.51 . . . . 0.0 110.31 -177.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 22' ' ' ILE . 5.3 mt -95.24 99.86 10.05 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 176.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.747 HG13 HD23 ' A' ' 23' ' ' LEU . 2.1 mm -82.8 102.81 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.496 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 41.9 tt0 -109.4 113.3 26.0 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.211 -176.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.441 ' NH1' ' HA ' ' A' ' 93' ' ' ASP . 10.6 tpt180 -124.84 123.13 39.28 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.111 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 63.66 18.2 10.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.667 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.64 4.7 60.47 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 9.6 mttp -117.29 149.72 39.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.787 0.327 . . . . 0.0 110.72 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.664 HG21 ' HE1' ' A' ' 39' ' ' PHE . 12.5 mt -105.02 144.44 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.951 -174.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.747 HD23 HG13 ' A' ' 16' ' ' ILE . 52.7 tp -86.39 123.05 31.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.223 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.615 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 42.7 mt -117.01 146.01 43.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.785 175.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.47 122.42 40.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.15 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.238 0.464 0 CA-C-O 121.524 0.678 . . . . 0.0 111.361 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.355 0 N-CA-C 111.882 -0.487 . . . . 0.0 111.882 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.614 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 7.7 mp -84.93 156.51 21.18 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.821 -0.689 . . . . 0.0 111.386 -178.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 42.5 m95 -113.61 146.82 39.13 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 175.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -135.51 161.43 35.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.599 0.238 . . . . 0.0 110.859 -173.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.664 ' HE1' HG21 ' A' ' 22' ' ' ILE . 94.8 m-85 -85.98 117.02 24.56 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 172.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.63 151.33 25.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.303 -176.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 168.2 -146.6 10.62 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.39 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.51 ' HA3' ' HG3' ' A' ' 57' ' ' GLU . . . 176.92 172.46 41.55 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.298 -0.953 . . . . 0.0 113.173 -178.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -78.19 148.83 33.86 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.841 0.353 . . . . 0.0 110.361 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.6 t -96.19 124.5 48.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.411 -175.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.503 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 45.4 mt-10 -79.24 132.88 61.61 Favored Pre-proline 0 N--CA 1.445 -0.697 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 169.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.45 -30.01 71.48 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.5 2.134 . . . . 0.0 112.256 -176.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -84.85 2.62 41.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.649 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.679 ' HB2' HE21 ' A' ' 52' ' ' GLN . 20.1 pt-20 -123.13 163.56 20.33 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 173.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.8 m -83.33 158.92 21.99 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.243 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -67.68 -39.35 84.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 55' ' ' VAL . 55.1 mtt180 -65.87 -36.33 83.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.3 0.572 . . . . 0.0 109.484 173.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.679 HE21 ' HB2' ' A' ' 48' ' ' GLU . 30.7 tt0 -71.68 -40.67 69.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.297 -174.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.35 -44.23 95.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.453 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.717 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 16.9 mt -60.65 -45.58 93.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.886 0.374 . . . . 0.0 110.982 175.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 51' ' ' ARG . 44.2 t -58.62 -43.89 88.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.8 -178.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.668 ' HD3' ' N ' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -74.87 -44.93 46.3 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.329 -179.449 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.668 ' N ' ' HD3' ' A' ' 56' ' ' ARG . 10.0 mm-40 -60.29 -42.03 94.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.594 0.235 . . . . 0.0 111.429 -178.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.717 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 35.9 mt -70.47 -33.57 71.41 Favored 'General case' 0 C--O 1.219 -0.52 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.769 178.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -64.79 -37.49 87.79 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.838 0.352 . . . . 0.0 110.792 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.648 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 30.3 mt-10 -84.56 -38.29 20.15 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.545 -177.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.41 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 71.9 mm-40 -85.31 -52.18 6.07 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.605 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 57.4 mt -93.24 -21.61 19.51 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.096 -172.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.68 22.13 60.51 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 119.96 -1.114 . . . . 0.0 111.325 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.444 HG12 ' HB2' ' A' ' 62' ' ' LEU . 44.4 pt -119.57 142.36 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.162 0.506 . . . . 0.0 111.094 -177.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.444 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 47.4 mt-10 -90.18 93.16 9.25 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 174.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.86 155.29 21.8 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.017 -172.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.656 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 31.2 m -113.29 112.61 24.01 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.21 174.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.412 HG13 ' HB3' ' A' ' 89' ' ' TRP . 48.0 t -94.09 121.86 45.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 -177.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -124.14 -80.55 0.46 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.203 -0.998 . . . . 0.0 113.051 -174.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.804 ' HG2' ' HB3' ' A' ' 90' ' ' HIS . 2.0 pm0 -89.6 129.26 36.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.368 0.604 . . . . 0.0 112.253 -174.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -81.22 136.2 35.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.849 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.6 t -100.99 -70.96 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.56 162.13 41.55 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 120.248 -0.581 . . . . 0.0 112.031 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 70.5 m -130.33 146.16 51.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.962 176.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -135.17 139.63 44.73 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -108.59 146.26 33.6 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.278 0.561 . . . . 0.0 111.18 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -158.27 171.14 20.73 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 174.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.459 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 11.0 pt-20 -114.95 148.3 38.89 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.357 -0.937 . . . . 0.0 111.209 -177.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.601 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.7 p -122.98 95.12 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.101 175.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.1 m 48.53 65.42 1.35 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.057 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.67 2.69 88.46 Favored Glycine 0 CA--C 1.522 0.515 0 C-N-CA 121.173 -0.537 . . . . 0.0 114.211 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.738 ' HG2' ' HB2' ' A' ' 7' ' ' LYS . 78.4 mtm180 -117.39 146.47 43.41 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 117.402 0.601 . . . . 0.0 110.921 177.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.411 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.1 mp -101.33 115.04 42.32 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 120.817 0.342 . . . . 0.0 111.498 -176.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.768 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -92.94 139.06 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.732 175.652 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -125.42 100.56 6.54 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.718 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.467 ' HG ' ' HB ' ' A' ' 11' ' ' VAL . 7.1 mp -87.95 133.72 33.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.16 -178.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.416 ' HB2' HG12 ' A' ' 12' ' ' VAL . 39.9 m80 -116.35 115.24 25.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.167 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.558 ' HB2' HD23 ' A' ' 126' ' ' LEU . . . -89.8 110.15 21.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.99 0.424 . . . . 0.0 110.871 177.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.412 ' HB3' HG13 ' A' ' 68' ' ' VAL . 80.8 m95 -105.73 139.88 39.63 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.595 176.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.804 ' HB3' ' HG2' ' A' ' 70' ' ' GLU . 52.9 t-80 -85.04 121.01 27.2 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.15 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.505 ' HB ' ' HA ' ' A' ' 16' ' ' ILE . 61.6 t -96.37 99.77 5.89 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 174.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.656 ' HD2' ' O ' ' A' ' 67' ' ' THR . 31.4 Cg_endo -86.1 -11.56 6.36 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.955 2.437 . . . . 0.0 112.389 -174.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.441 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 11.7 t70 -158.41 146.24 18.24 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.423 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -148.93 146.09 27.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.443 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 59.9 t60 -107.74 120.87 43.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.983 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.03 -165.39 20.25 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.334 176.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 86.7 m -121.18 127.61 51.68 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.532 HD22 HD22 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -80.36 124.88 29.26 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.671 0.748 . . . . 0.0 111.055 -172.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.605 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 20.1 pt20 -128.05 155.84 43.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.523 -176.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -106.33 107.08 17.91 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.396 -0.522 . . . . 0.0 112.083 -176.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -80.48 -72.06 0.43 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.605 174.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.41 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 17.1 mm-40 -78.8 -18.97 53.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.925 -178.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -105.48 170.83 7.66 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -175.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -88.42 -74.25 0.47 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.201 -0.6 . . . . 0.0 111.752 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -127.22 168.24 14.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.139 -175.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.533 ' HB3' HD11 ' A' ' 23' ' ' LEU . 2.9 mm? -118.72 142.81 47.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.297 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.9 p -134.41 142.59 40.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.886 0.374 . . . . 0.0 110.776 174.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.503 ' CZ2' HD11 ' A' ' 98' ' ' LEU . 21.0 m-90 -104.09 110.67 22.94 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 175.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.7 p -134.42 154.31 51.45 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.884 -176.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.541 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 26.1 m -71.97 156.92 90.38 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.439 ' O ' HD11 ' A' ' 127' ' ' LEU . 52.0 Cg_exo -47.42 -54.9 4.46 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.274 2.649 . . . . 0.0 113.769 -176.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 112' ' ' GLU . 0.5 OUTLIER -72.82 -24.67 60.93 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.564 -174.562 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.541 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 42.2 mm-40 -66.88 -42.15 86.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.262 172.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 117' ' ' TYR . . . -57.32 -35.63 70.1 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.286 -177.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.724 ' HG ' HD12 ' A' ' 127' ' ' LEU . 18.4 mt -75.06 -11.77 60.17 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.634 -178.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -83.63 -12.97 55.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.292 0.568 . . . . 0.0 109.872 172.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 114' ' ' ALA . 27.8 m-85 -85.55 156.31 59.09 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.179 178.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.614 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 55.4 Cg_endo -70.89 81.53 1.09 Allowed 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.869 1.713 . . . . 0.0 111.419 176.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.561 HD12 HD23 ' A' ' 115' ' ' LEU . 79.7 mt -88.72 152.68 21.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.976 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.612 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -66.48 154.54 90.73 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.385 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -62.91 -8.23 13.29 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.685 2.257 . . . . 0.0 113.667 -175.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.445 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -98.74 -20.98 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.136 0.493 . . . . 0.0 110.37 178.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.612 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.6 m-20 -84.17 -27.9 27.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.765 -176.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.631 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 72.8 mt -62.98 -58.74 14.94 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.35 -176.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 9.3 Cg_endo -52.62 -34.46 63.49 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 122.896 2.397 . . . . 0.0 112.718 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.558 HD23 ' HB2' ' A' ' 88' ' ' ALA . 5.9 mp -70.52 -39.11 74.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.798 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.724 HD12 ' HG ' ' A' ' 115' ' ' LEU . 2.2 tm? -72.56 -38.58 67.92 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.631 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 38.8 mt-10 -53.6 -42.69 67.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.768 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.427 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -80.63 -20.2 43.66 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.317 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -73.1 -46.81 49.18 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.2 ptm -69.46 -32.57 71.57 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.799 175.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -57.04 -41.24 78.27 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-O 120.868 0.365 . . . . 0.0 110.899 172.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.7 -43.64 88.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.691 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -72.52 -18.36 61.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.817 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -92.45 -37.43 12.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.625 0.25 . . . . 0.0 111.671 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.302 -178.701 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 64.4 mtm -96.86 126.9 42.34 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.472 0.653 . . . . 0.0 110.593 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.594 ' HB ' HG23 ' A' ' 84' ' ' ILE . 23.0 mt -105.13 117.0 50.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.303 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -95.77 122.68 38.8 Favored 'General case' 0 C--N 1.306 -1.305 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.743 -178.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.604 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 93.1 t -124.7 124.85 68.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.442 ' CG2' ' HG ' ' A' ' 54' ' ' LEU . 2.5 m -99.16 131.3 46.69 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 CA-C-O 121.161 0.505 . . . . 0.0 110.368 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.55 129.05 55.6 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.716 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -101.11 113.59 26.75 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 121.166 0.507 . . . . 0.0 110.18 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.634 HG23 HG23 ' A' ' 22' ' ' ILE . 7.8 mt -88.89 99.66 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.216 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 176.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.78 HG13 HD23 ' A' ' 23' ' ' LEU . 2.2 mm -86.11 101.14 10.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -175.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.516 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 34.7 tt0 -103.22 113.28 26.64 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.882 -175.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 28.6 tpt180 -127.37 126.55 42.69 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.188 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 70.85 -0.71 2.91 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.722 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.35 -0.5 29.54 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.399 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 4.5 mtpt -111.64 155.74 22.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.715 0.293 . . . . 0.0 110.358 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.634 HG23 HG23 ' A' ' 15' ' ' ILE . 23.6 mt -104.5 146.91 11.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.302 -176.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.78 HD23 HG13 ' A' ' 16' ' ' ILE . 60.4 tp -88.96 119.85 29.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.318 -178.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.534 HD13 ' SG ' ' A' ' 109' ' ' CYS . 7.5 mp -114.02 137.66 51.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.861 177.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.36 120.36 37.93 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.107 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 . . . . . 0 C--N 1.325 -0.492 0 CA-C-O 121.164 0.507 . . . . 0.0 111.54 -177.328 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.239 0 CA-C-O 120.387 -0.118 . . . . 0.0 113.282 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.1 mt -76.53 148.31 37.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.806 0.336 . . . . 0.0 111.424 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.403 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 65.0 m95 -113.95 147.64 38.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.156 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -134.64 164.47 27.42 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -89.91 141.25 28.82 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.51 152.06 44.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.658 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.63 -145.39 11.03 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.033 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.79 177.7 38.78 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.379 -178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.5 ' HG2' ' N ' ' A' ' 44' ' ' VAL . 75.3 tttt -78.08 153.74 31.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.975 0.416 . . . . 0.0 110.765 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.5 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 47.0 t -109.4 126.76 66.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.793 176.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 9.1 tp10 -86.54 127.92 58.84 Favored Pre-proline 0 C--N 1.318 -0.803 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 169.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.512 ' HD2' ' OE2' ' A' ' 45' ' ' GLU . 8.7 Cg_endo -52.01 -15.53 3.45 Favored 'Trans proline' 0 CA--C 1.535 0.538 0 C-N-CA 123.073 2.515 . . . . 0.0 114.042 -175.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -79.05 -22.25 45.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.92 0.391 . . . . 0.0 111.186 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 13.8 pt-20 -108.26 163.97 12.72 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 177.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.4 m -87.08 154.29 20.87 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 -177.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -61.47 -41.01 96.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.295 -177.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.443 ' HB3' ' HB ' ' A' ' 68' ' ' VAL . 87.5 mtt180 -69.39 -33.32 72.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.917 0.389 . . . . 0.0 110.241 176.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -72.4 -40.79 66.94 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.468 -175.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -59.65 -43.84 93.74 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.422 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.716 HD22 ' HB2' ' A' ' 14' ' ' ALA . 15.8 mt -59.65 -44.05 93.68 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.001 0.429 . . . . 0.0 110.799 174.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 51' ' ' ARG . 34.3 t -60.51 -42.23 90.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.23 -177.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 53' ' ' ALA . 5.6 ppt_? -75.86 -42.88 48.15 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.109 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -60.25 -44.46 95.23 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 37.6 mt -68.3 -32.17 72.12 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.412 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.451 ' O ' ' HA2' ' A' ' 63' ' ' GLY . 32.2 ttt180 -63.41 -33.81 76.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.374 0.606 . . . . 0.0 110.57 178.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -89.04 -38.48 14.36 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.015 -176.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.604 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 63.9 mm-40 -85.65 -51.14 6.66 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.601 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.526 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 58.1 mt -94.52 -20.54 19.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.758 -174.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . 80.07 24.65 59.23 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.235 -0.983 . . . . 0.0 111.156 175.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.519 HD12 ' HB2' ' A' ' 94' ' ' PHE . 29.2 pt -124.86 146.31 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.397 0.618 . . . . 0.0 111.706 -176.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -90.23 98.58 11.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.091 174.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 94' ' ' PHE . . . -89.2 151.34 22.22 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.285 0.564 . . . . 0.0 112.183 -171.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.687 ' HB ' ' HB3' ' A' ' 93' ' ' ASP . 29.8 m -112.03 103.63 11.84 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.875 173.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.443 ' HB ' ' HB3' ' A' ' 51' ' ' ARG . 36.7 t -87.5 127.55 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.554 -175.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -125.19 -89.75 0.8 Allowed Glycine 0 CA--C 1.522 0.476 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.93 -172.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.563 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 5.9 pt-20 -91.41 133.82 35.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.557 0.694 . . . . 0.0 112.79 -169.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.638 ' OH ' ' HB2' ' A' ' 74' ' ' SER . 23.6 t80 -87.63 133.31 33.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.926 -1.033 . . . . 0.0 111.33 -174.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -94.26 -70.66 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.199 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -176.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -161.8 178.61 8.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.847 0.356 . . . . 0.0 111.672 -177.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.638 ' HB2' ' OH ' ' A' ' 71' ' ' TYR . 12.9 t -139.95 151.81 45.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.595 178.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -130.48 137.84 49.97 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -105.36 140.33 38.64 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.251 0.548 . . . . 0.0 111.276 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.474 ' HG3' HG13 ' A' ' 84' ' ' ILE . 19.3 ptt180 -155.86 175.12 14.36 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 176.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -119.05 151.64 37.88 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 119.639 -0.824 . . . . 0.0 111.692 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.67 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.7 p -123.34 95.03 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 170.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.5 p 46.2 70.84 0.34 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.872 -174.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.21 -23.08 5.56 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 121.176 -0.535 . . . . 0.0 114.21 176.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.406 ' HB2' HG13 ' A' ' 79' ' ' VAL . 85.5 mtt180 -92.36 130.81 37.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.356 -0.496 . . . . 0.0 110.574 -178.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.9 mp -90.26 116.5 31.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.981 0.419 . . . . 0.0 110.384 -174.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.67 HD11 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -91.17 134.4 29.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.77 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.55 97.47 6.46 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.088 -0.96 . . . . 0.0 108.55 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.604 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 5.6 mp -89.59 117.72 28.69 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.783 -176.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.477 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . 90.7 m-70 -101.52 114.49 28.55 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.112 -178.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.32 113.56 25.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.957 0.408 . . . . 0.0 109.934 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.21 138.81 43.86 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.15 -178.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.563 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 15.1 t-160 -84.83 108.34 17.45 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.3 t -91.51 106.02 15.12 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.815 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.497 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 70.9 Cg_endo -89.73 -14.07 2.53 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 123.084 2.523 . . . . 0.0 113.216 -176.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.687 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 38.5 t70 -145.54 137.61 25.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.995 0.426 . . . . 0.0 111.566 -174.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.519 ' HB2' HD12 ' A' ' 64' ' ' ILE . 49.9 p90 -149.72 143.47 25.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.815 177.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -119.19 120.69 37.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.564 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 128.54 -163.25 22.07 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.027 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.6 m -118.5 115.27 24.26 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.788 HD12 HD23 ' A' ' 106' ' ' LEU . 0.2 OUTLIER -68.53 126.18 28.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.051 -175.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.526 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.2 pt20 -128.92 163.05 26.13 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.495 -176.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.57 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -106.61 100.22 9.75 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.098 177.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.403 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 34.8 t-80 -80.03 -74.39 0.31 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.858 178.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.604 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 5.5 mm-40 -82.93 -2.64 55.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.553 0.692 . . . . 0.0 110.719 178.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -111.07 161.06 16.29 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.033 -0.985 . . . . 0.0 108.446 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -96.65 -52.06 4.07 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.183 -176.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.99 159.44 24.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.206 -177.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.788 HD23 HD12 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -135.96 125.15 24.57 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.125 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.9 p -134.55 147.22 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.026 0.441 . . . . 0.0 111.726 -176.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 2.1 m0 -102.92 113.32 26.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.986 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.534 ' SG ' HD13 ' A' ' 24' ' ' LEU . 26.0 p -132.95 153.64 51.23 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 175.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.581 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 7.0 m -71.87 163.62 65.21 Favored Pre-proline 0 C--N 1.317 -0.821 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.087 -174.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.581 ' HD2' ' HB3' ' A' ' 110' ' ' SER . 6.4 Cg_endo -48.16 -55.31 4.15 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.28 2.653 . . . . 0.0 113.966 -175.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -69.19 -29.87 67.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.985 0.421 . . . . 0.0 110.298 -177.179 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.401 ' O ' ' HD1' ' A' ' 117' ' ' TYR . 5.4 mm-40 -65.71 -42.68 90.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.503 176.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.37 -44.28 97.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.693 -176.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.663 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -73.13 -16.21 61.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.958 0.409 . . . . 0.0 110.565 -176.587 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -88.77 2.74 52.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.098 0.475 . . . . 0.0 110.746 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.401 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 8.9 m-85 -98.34 161.29 25.81 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.554 172.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.11 87.53 0.6 Allowed 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 121.885 1.723 . . . . 0.0 112.115 176.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.448 HD12 HD22 ' A' ' 115' ' ' LEU . 67.6 mt -94.64 153.42 17.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.575 178.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.537 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -65.78 153.68 90.53 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.689 177.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.86 -21.33 32.73 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.539 2.826 . . . . 0.0 114.153 -175.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.474 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -91.47 -26.86 18.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.987 0.422 . . . . 0.0 110.968 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.537 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.9 m-20 -79.94 -27.08 39.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.795 -175.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.662 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 83.2 mt -61.4 -60.13 11.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.098 -177.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.457 ' HD3' ' HB ' ' A' ' 124' ' ' ILE . 27.2 Cg_endo -61.27 -27.34 83.25 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.442 2.095 . . . . 0.0 112.633 -176.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 94.4 mt -71.34 -42.22 68.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.253 0.549 . . . . 0.0 109.794 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.663 ' HB3' HD23 ' A' ' 115' ' ' LEU . 2.9 tm? -74.01 -35.9 64.44 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.563 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.662 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 36.3 mt-10 -54.9 -39.0 68.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 177.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.53 -29.05 41.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.889 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -67.99 -45.05 75.21 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -67.06 -33.44 75.51 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.606 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.76 83.48 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.718 0.294 . . . . 0.0 111.2 173.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.36 -46.24 87.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.993 0.425 . . . . 0.0 110.343 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -72.37 -22.17 61.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.109 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -84.43 -36.26 22.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.192 0.52 . . . . 0.0 110.704 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.035 -179.38 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 mptt . . . . . 0 CA--C 1.515 -0.401 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 88.5 mtp -99.23 130.74 45.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.285 0.564 . . . . 0.0 110.218 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.779 ' HB ' HG23 ' A' ' 84' ' ' ILE . 44.1 mt -105.37 110.95 32.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -95.13 122.87 38.25 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -173.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.447 ' HB ' ' HG ' ' A' ' 86' ' ' LEU . 82.5 t -122.48 135.29 63.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -177.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.445 ' CG2' ' HG ' ' A' ' 54' ' ' LEU . 3.4 m -105.85 131.56 55.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.056 175.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.0 128.74 55.94 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.975 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.509 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.28 108.38 19.72 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.256 -177.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.464 HG23 ' CG2' ' A' ' 22' ' ' ILE . 6.9 mt -93.41 98.87 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.905 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 177.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.887 HG12 HG21 ' A' ' 91' ' ' VAL . 18.3 mt -92.34 106.18 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -175.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.473 ' HB3' ' HE2' ' A' ' 90' ' ' HIS . 30.8 tt0 -112.99 129.67 56.41 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.617 -174.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -133.73 120.34 20.45 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 69.38 13.14 8.44 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.727 0.642 . . . . 0.0 111.723 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.6 6.24 54.92 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.141 -1.028 . . . . 0.0 112.5 -178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 12.2 mttp -115.79 142.77 46.31 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 176.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.527 HG21 ' HE1' ' A' ' 39' ' ' PHE . 32.6 mt -102.94 148.08 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.432 -175.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.582 HD11 ' HG ' ' A' ' 106' ' ' LEU . 40.9 tp -87.3 119.28 27.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.159 0.504 . . . . 0.0 111.162 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.0 mp -112.25 139.46 47.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.815 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 103' ' ' HIS . . . -120.42 117.99 29.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.084 0.468 . . . . 0.0 111.162 -179.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.595 -177.653 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.61 0 N-CA-C 112.154 -0.378 . . . . 0.0 112.154 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.438 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 6.1 mp -82.73 151.19 26.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.905 0.383 . . . . 0.0 111.279 176.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.412 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 45.9 m95 -118.65 152.49 35.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.649 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -147.38 166.63 26.58 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.527 ' HE1' HG21 ' A' ' 22' ' ' ILE . 96.6 m-85 -81.49 151.83 27.62 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 177.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.24 169.45 18.31 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.332 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 146.09 -142.05 10.2 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.865 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.46 ' HA3' ' HG3' ' A' ' 57' ' ' GLU . . . 170.63 175.9 39.63 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.095 -178.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -78.29 153.49 31.73 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.787 0.327 . . . . 0.0 110.572 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.51 109.53 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.811 ' HG3' ' HD2' ' A' ' 46' ' ' PRO . 2.8 tp10 -85.63 150.13 52.99 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.811 ' HD2' ' HG3' ' A' ' 45' ' ' GLU . 30.3 Cg_endo -64.0 11.54 0.1 Allowed 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 122.942 2.428 . . . . 0.0 114.198 -177.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 45' ' ' GLU . 5.9 m-20 -115.08 11.19 16.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.076 0.465 . . . . 0.0 110.58 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -145.6 171.07 15.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.936 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.1 t -105.5 163.57 12.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.832 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -58.71 -49.01 79.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.503 -176.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.482 ' O ' HG23 ' A' ' 55' ' ' VAL . 52.1 mtt180 -60.27 -39.68 87.71 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.422 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -68.95 -42.04 77.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.117 -176.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.96 -48.99 79.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.999 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.725 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 24.3 mt -59.62 -46.81 87.88 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 121.001 0.429 . . . . 0.0 110.698 178.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 51' ' ' ARG . 43.3 t -59.52 -49.75 82.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.409 -177.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.513 ' HG3' ' N ' ' A' ' 57' ' ' GLU . 8.0 ptt180 -68.58 -44.0 75.34 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.356 -176.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.513 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 5.7 mm-40 -63.16 -41.34 99.24 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.177 -0.209 . . . . 0.0 111.44 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.725 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 30.5 mt -69.83 -33.87 72.9 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 120.409 -0.516 . . . . 0.0 109.843 177.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.454 ' HD2' ' OE2' ' A' ' 65' ' ' GLU . 19.1 ttt180 -58.07 -37.35 74.29 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.447 174.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -88.43 -37.39 15.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.687 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 27.7 mm-40 -87.51 -50.47 6.51 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.676 0.251 . . . . 0.0 111.676 -178.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.656 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 39.5 mt -103.38 7.36 38.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.581 -171.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 47.22 37.11 10.68 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 115.191 0.837 . . . . 0.0 115.191 -177.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.471 HD12 ' HB2' ' A' ' 94' ' ' PHE . 35.5 pt -131.6 145.89 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 118.116 0.958 . . . . 0.0 112.122 178.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.585 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 20.2 mm-40 -90.72 104.07 16.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 172.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.707 ' HB1' ' HH2' ' A' ' 89' ' ' TRP . . . -86.15 149.37 25.17 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.07 0.462 . . . . 0.0 111.847 -174.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 89.1 m -107.05 104.29 13.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.363 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.623 ' HA ' ' CZ2' ' A' ' 89' ' ' TRP . 30.8 t -84.15 133.2 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.772 -0.195 . . . . 0.0 110.764 -175.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 174.11 63.93 0.05 OUTLIER Glycine 0 C--N 1.336 0.556 0 C-N-CA 119.738 -1.22 . . . . 0.0 114.729 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 162.62 105.48 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.777 0.831 . . . . 0.0 110.581 176.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.675 ' HE1' ' HB3' ' A' ' 87' ' ' HIS . 48.0 t80 -86.73 130.14 34.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.198 -176.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.485 HG13 HD22 ' A' ' 133' ' ' LEU . 87.8 t -95.79 -71.25 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.19 -178.99 7.49 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.562 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.536 ' HB3' ' OH ' ' A' ' 71' ' ' TYR . 9.6 p -144.09 153.78 42.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.814 0.34 . . . . 0.0 110.996 177.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -137.66 137.49 38.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.681 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -101.64 144.28 30.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.23 0.538 . . . . 0.0 111.47 176.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.613 ' HG3' HG13 ' A' ' 84' ' ' ILE . 27.1 ptt180 -153.94 174.13 15.04 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 171.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -124.13 151.57 43.79 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 119.629 -0.828 . . . . 0.0 111.214 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.607 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.7 p -121.67 94.39 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 173.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.4 m 48.51 70.03 0.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.747 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.61 -23.38 8.84 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 120.838 -0.696 . . . . 0.0 114.712 176.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -98.3 135.97 39.15 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 117.944 0.872 . . . . 0.0 110.94 -177.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.2 mp -93.39 113.16 27.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.932 0.396 . . . . 0.0 110.492 -172.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.779 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -90.98 135.51 26.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.27 178.023 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -124.06 100.61 6.81 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.976 -175.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.489 HD22 ' HB1' ' A' ' 122' ' ' ALA . 7.3 mp -88.21 130.15 35.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.509 -177.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.675 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . 35.3 m80 -109.63 114.16 27.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.689 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.67 120.89 31.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.045 0.45 . . . . 0.0 111.051 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.707 ' HH2' ' HB1' ' A' ' 66' ' ' ALA . 3.3 t90 -119.4 132.62 55.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.52 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.474 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 39.5 t-80 -85.03 127.07 34.05 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 176.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.887 HG21 HG12 ' A' ' 16' ' ' ILE . 41.9 t -87.82 109.9 30.76 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 120.694 0.283 . . . . 0.0 110.549 -174.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 55.7 Cg_endo -73.75 -35.43 4.51 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.762 2.308 . . . . 0.0 112.032 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -152.71 144.01 23.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.156 -175.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.471 ' HB2' HD12 ' A' ' 64' ' ' ILE . 41.1 p90 -143.52 134.6 25.63 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.273 177.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.585 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 56.2 t-80 -93.04 120.67 33.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.604 177.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.35 -156.72 15.46 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.312 176.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 89.1 m -128.11 139.12 52.69 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.564 HD13 ' H ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -76.86 125.28 29.03 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.49 0.662 . . . . 0.0 110.516 -174.563 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.656 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 20.9 pt20 -124.43 164.56 19.45 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.274 -0.875 . . . . 0.0 108.901 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.634 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -113.23 107.51 16.0 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.36 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.547 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 34.3 t-80 -86.08 -78.89 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.659 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.687 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 19.6 mm-40 -75.46 -42.83 52.24 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.298 0.571 . . . . 0.0 110.464 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.569 ' O ' ' HB1' ' A' ' 100' ' ' ALA . 59.3 m80 -74.34 152.71 39.54 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -94.23 -70.89 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -170.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -98.14 154.06 18.01 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 121.224 -0.191 . . . . 0.0 110.674 -176.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.634 HD13 ' HB2' ' A' ' 100' ' ' ALA . 1.1 tp -131.45 127.14 36.8 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -178.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.2 p -133.7 146.34 32.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.863 0.364 . . . . 0.0 111.48 -178.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.426 ' CZ2' HD21 ' A' ' 98' ' ' LEU . 4.4 m-90 -105.29 119.36 38.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.774 170.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 26.0 p -137.94 156.19 48.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.807 0.336 . . . . 0.0 110.366 175.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.1 m -65.3 153.79 88.92 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.791 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.513 ' O ' HD11 ' A' ' 127' ' ' LEU . 1.6 Cg_endo -45.97 -52.93 6.36 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.372 2.715 . . . . 0.0 113.46 -176.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.33 -28.59 66.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.878 0.37 . . . . 0.0 110.928 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -71.78 -32.71 67.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.605 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.36 99.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.226 177.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.679 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -72.47 -15.36 61.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.022 -177.088 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -84.96 -5.41 59.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.034 0.445 . . . . 0.0 110.56 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -93.94 163.18 24.65 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.755 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.438 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 54.3 Cg_endo -72.06 77.69 1.93 Allowed 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.223 1.948 . . . . 0.0 112.188 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.512 HD12 HD22 ' A' ' 115' ' ' LEU . 72.3 mt -84.89 153.51 22.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.822 175.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.489 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -69.88 156.21 92.16 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.709 178.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.413 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 24.8 Cg_endo -61.32 -8.52 10.65 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.116 2.544 . . . . 0.0 113.327 -177.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.489 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -93.49 -33.36 13.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.871 0.367 . . . . 0.0 110.234 177.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.489 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 3.3 m-20 -81.9 -28.86 32.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.425 -173.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.595 HG23 HD11 ' A' ' 115' ' ' LEU . 93.7 mt -60.29 -57.27 27.89 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.681 -175.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 18.6 Cg_endo -61.39 -24.98 79.44 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.208 1.939 . . . . 0.0 112.719 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.1 mt -71.62 -41.11 69.27 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.074 0.464 . . . . 0.0 109.836 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.679 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.4 tm? -73.04 -39.53 65.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.072 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -53.92 -41.47 67.71 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.597 0.237 . . . . 0.0 111.076 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.427 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -81.43 -23.13 37.72 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.25 179.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.402 ' HE1' ' HB2' ' A' ' 90' ' ' HIS . 84.3 t80 -67.69 -48.6 66.12 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.0 ptm -71.83 -30.46 65.5 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.694 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -59.64 -40.97 89.38 Favored 'General case' 0 C--N 1.338 0.082 0 CA-C-O 120.838 0.351 . . . . 0.0 111.049 173.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.485 HD22 HG13 ' A' ' 72' ' ' VAL . 3.5 mp -64.64 -35.39 80.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -84.03 -23.41 30.93 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.569 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.14 -39.46 12.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.753 0.311 . . . . 0.0 111.175 -176.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.071 -179.233 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.2 tptp . . . . . 0 N--CA 1.451 -0.387 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.9 mtm -96.03 135.67 37.5 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.321 0.581 . . . . 0.0 110.484 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.678 ' HB ' HG23 ' A' ' 84' ' ' ILE . 28.4 mt -104.89 106.88 21.3 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 176.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -90.5 123.98 34.63 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -174.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 57.6 t -127.22 125.22 65.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.406 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 2.9 m -98.86 131.86 45.26 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 177.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.28 130.16 56.83 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.594 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.54 114.3 28.39 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.145 0.498 . . . . 0.0 109.944 -178.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.502 HG23 HG23 ' A' ' 22' ' ' ILE . 5.5 mt -92.23 98.3 8.21 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.275 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 176.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.49 HD12 HD23 ' A' ' 23' ' ' LEU . 44.9 mt -89.94 103.4 14.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.461 -0.79 . . . . 0.0 108.904 -177.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 3.7 tm-20 -118.07 126.69 52.77 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.959 -173.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -139.66 130.99 26.76 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.852 -1.067 . . . . 0.0 108.472 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 68.86 14.57 8.92 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.601 0.563 . . . . 0.0 112.015 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.65 8.72 63.57 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.309 -0.948 . . . . 0.0 111.725 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.513 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 mmtp -118.61 138.54 52.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.699 0.285 . . . . 0.0 110.255 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.511 HG21 ' HE1' ' A' ' 39' ' ' PHE . 49.4 mt -104.11 149.61 7.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.322 -176.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 106' ' ' LEU . 33.3 tp -87.06 115.66 24.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.084 0.469 . . . . 0.0 111.066 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.445 HD23 HD21 ' A' ' 119' ' ' LEU . 5.9 mp -111.06 135.4 51.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.367 176.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.23 122.45 43.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.698 0.285 . . . . 0.0 110.964 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.497 -177.74 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 112.578 -0.209 . . . . 0.0 112.578 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' A' ' 118' ' ' PRO . 2.3 mm? -74.57 147.13 41.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.918 0.39 . . . . 0.0 111.293 -177.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.512 ' HD1' ' HG2' ' A' ' 118' ' ' PRO . 65.7 m95 -113.71 145.02 41.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.763 177.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -139.78 155.73 47.14 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.511 ' HE1' HG21 ' A' ' 22' ' ' ILE . 93.0 m-85 -73.74 138.1 44.4 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 175.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.13 154.13 42.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.895 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 161.74 -133.63 3.22 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.406 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.73 174.32 36.59 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.134 -1.031 . . . . 0.0 113.314 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.5 tttm -77.87 149.8 34.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.958 0.409 . . . . 0.0 110.548 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.42 HG21 HE21 ' A' ' 50' ' ' GLN . 44.0 t -101.81 141.36 18.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.465 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.551 ' HG3' ' HD2' ' A' ' 46' ' ' PRO . 4.2 tp10 -110.0 148.29 37.98 Favored Pre-proline 0 C--N 1.319 -0.73 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.551 ' HD2' ' HG3' ' A' ' 45' ' ' GLU . 30.7 Cg_endo -64.78 10.81 0.13 Allowed 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 122.607 2.205 . . . . 0.0 112.631 174.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 45' ' ' GLU . 10.6 t70 -98.54 -18.65 18.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.553 0.692 . . . . 0.0 109.869 178.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -129.69 164.81 23.14 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.675 -173.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.7 m -88.56 157.21 18.68 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.42 HE21 HG21 ' A' ' 44' ' ' VAL . 10.1 mt-30 -67.9 -33.91 75.61 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.458 -174.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -70.12 -38.01 75.46 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -65.03 -37.63 88.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.83 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.13 -46.45 90.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.575 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.666 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 23.7 mt -61.89 -46.72 88.16 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.49 177.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.5 t -56.94 -49.86 77.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.046 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.562 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.1 ppt_? -70.04 -43.69 70.77 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.414 -178.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.71 -46.59 89.03 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 38.9 mt -66.4 -33.58 76.04 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.325 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -64.48 -33.43 75.88 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.845 0.355 . . . . 0.0 111.055 175.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.562 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 22.8 mt-10 -87.02 -34.91 19.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.395 -178.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.611 ' CD ' ' HB2' ' A' ' 102' ' ' GLU . 2.2 mt-10 -87.31 -53.76 4.66 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 178.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.781 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 34.8 mt -101.25 6.03 42.75 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.255 -168.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.79 24.48 33.48 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 121.118 -0.563 . . . . 0.0 114.052 -176.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.585 HG12 ' HB2' ' A' ' 62' ' ' LEU . 46.5 pt -126.15 135.72 62.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 117.619 0.71 . . . . 0.0 111.537 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.538 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 32.4 mt-10 -94.16 98.5 11.01 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 176.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.89 157.09 27.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.495 -171.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.452 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 56.9 m -107.42 105.95 16.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.278 -0.873 . . . . 0.0 108.66 174.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.0 t -79.33 129.5 37.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -137.51 -85.74 0.16 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.509 -0.853 . . . . 0.0 113.378 -177.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.61 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 5.8 pt-20 -88.56 126.06 35.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.775 0.798 . . . . 0.0 113.129 -169.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.414 ' HD1' ' CE2' ' A' ' 89' ' ' TRP . 14.1 t80 -77.74 132.15 37.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.793 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.8 t -97.04 -70.86 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.6 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -161.68 -177.15 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.837 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.9 m -149.18 156.16 41.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.737 0.303 . . . . 0.0 111.048 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -141.0 145.1 35.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.498 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -109.8 142.37 41.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.259 175.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.671 ' HG3' HG13 ' A' ' 84' ' ' ILE . 27.4 ptt180 -151.8 173.77 14.36 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 172.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -124.63 151.71 44.53 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 119.3 -0.96 . . . . 0.0 112.147 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.504 ' HB ' HD11 ' A' ' 84' ' ' ILE . 3.2 p -124.19 94.76 2.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 114.812 -1.086 . . . . 0.0 108.63 172.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.0 m 51.87 66.64 1.14 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.848 -177.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.84 -20.54 6.35 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 120.724 -0.75 . . . . 0.0 114.246 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.433 ' HB2' HG13 ' A' ' 79' ' ' VAL . 90.5 mtt180 -92.36 132.32 36.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.458 0.629 . . . . 0.0 109.986 -178.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mp -92.57 113.94 28.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.704 0.288 . . . . 0.0 110.471 -174.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.678 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -89.7 129.92 39.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.361 0.601 . . . . 0.0 109.951 177.458 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -119.12 99.5 6.76 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.81 -173.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.585 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.1 mp -91.38 127.78 36.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.61 -176.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -112.01 116.33 30.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.668 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.31 116.43 28.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.066 0.46 . . . . 0.0 111.246 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.414 ' CE2' ' HD1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -108.11 142.27 38.57 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.054 176.007 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.61 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 10.5 t-160 -91.69 120.69 32.67 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.3 t -90.25 112.42 52.55 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.277 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.452 ' HD2' ' O ' ' A' ' 67' ' ' THR . 61.4 Cg_endo -75.93 -30.73 5.64 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.906 2.404 . . . . 0.0 112.697 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -158.57 152.27 23.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.053 -176.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.458 ' HB2' ' HB ' ' A' ' 64' ' ' ILE . 34.6 p90 -140.39 139.41 35.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.332 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.538 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 18.9 t60 -91.1 119.69 31.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.302 175.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.99 -164.54 12.23 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.624 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.6 m -122.55 126.24 47.36 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.589 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -76.2 124.06 26.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.986 0.898 . . . . 0.0 111.979 -171.417 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.781 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 10.4 pt20 -135.57 167.43 21.11 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.469 -1.241 . . . . 0.0 109.327 -177.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -105.64 126.43 52.14 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.07 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.574 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 68.7 t60 -113.93 -62.67 1.56 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.49 177.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.611 ' HB2' ' CD ' ' A' ' 61' ' ' GLU . 14.3 mm-40 -81.99 -33.08 30.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.267 0.556 . . . . 0.0 109.724 177.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -87.63 171.84 10.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.455 173.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.427 HE21 ' HB2' ' A' ' 104' ' ' GLN . 6.8 tt0 -96.48 -67.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -174.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -124.26 162.67 23.23 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.253 -0.179 . . . . 0.0 110.922 -177.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.521 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.8 mm? -120.08 138.53 53.49 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.1 p -131.42 135.43 59.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 171.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.49 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 1.4 p90 -107.41 115.06 29.49 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.505 0.669 . . . . 0.0 110.194 176.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.42 ' SG ' HD13 ' A' ' 24' ' ' LEU . 12.0 p -145.04 156.72 44.09 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.884 -175.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 p -72.22 160.59 82.33 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -175.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.535 ' O ' HD11 ' A' ' 127' ' ' LEU . 7.1 Cg_endo -50.15 -41.29 50.0 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 123.006 2.47 . . . . 0.0 113.239 -178.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.07 -37.76 88.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.359 . . . . 0.0 110.826 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.44 ' O ' ' HD1' ' A' ' 117' ' ' TYR . 14.0 mm-40 -72.34 -41.59 66.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.75 178.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.22 -37.75 75.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.755 -173.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.649 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -75.81 -9.91 58.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.695 0.283 . . . . 0.0 111.438 -177.143 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -95.85 1.43 53.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.141 0.496 . . . . 0.0 110.419 174.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.44 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 25.6 m-85 -91.66 158.21 40.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.269 173.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.512 ' HG2' ' HD1' ' A' ' 37' ' ' TRP . 42.0 Cg_endo -69.14 75.32 0.96 Allowed 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.254 1.969 . . . . 0.0 112.229 176.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.453 ' HB3' ' HB2' ' A' ' 123' ' ' ASP . 65.2 mt -81.06 152.59 27.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.089 176.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.542 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -69.95 158.91 86.11 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.52 177.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.464 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 14.1 Cg_endo -57.19 -15.4 18.17 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.181 2.587 . . . . 0.0 113.278 -178.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.529 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -93.05 -28.63 16.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.82 0.343 . . . . 0.0 110.807 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.542 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 2.2 m-20 -82.2 -28.33 32.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.292 -174.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.44 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 79.6 mt -60.41 -58.42 19.49 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.976 -176.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.44 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 20.2 Cg_endo -60.67 -27.91 85.64 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.557 2.171 . . . . 0.0 112.801 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 90.0 mt -70.79 -43.89 67.75 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.19 0.519 . . . . 0.0 109.869 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.649 ' HB3' HD23 ' A' ' 115' ' ' LEU . 2.8 tm? -73.55 -36.38 65.62 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.843 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -55.24 -41.8 72.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 0.0 110.833 176.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.75 -26.56 49.96 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.472 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -67.64 -44.57 77.62 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 15.6 ptp -67.15 -38.25 85.18 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -55.17 -43.73 74.58 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.145 0.498 . . . . 0.0 111.159 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.8 mp -63.91 -33.48 75.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.644 -177.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 134' ' ' ARG . 29.4 mtp180 -93.06 -20.86 20.13 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -176.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -95.44 -40.48 9.46 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.384 -178.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.295 178.84 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? . . . . . 0 CA--C 1.519 -0.214 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.1 mtp -102.97 138.2 40.16 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.797 0.808 . . . . 0.0 112.123 -175.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.677 ' HB ' HG23 ' A' ' 84' ' ' ILE . 35.2 mt -112.99 112.81 42.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 114.297 -1.32 . . . . 0.0 108.434 176.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -98.18 122.21 41.05 Favored 'General case' 0 C--N 1.31 -1.135 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.934 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.656 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 93.1 t -124.09 121.64 62.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -175.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.44 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -99.13 133.58 41.31 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.307 -179.497 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.59 126.31 54.05 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.616 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.99 119.17 38.37 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.204 0.526 . . . . 0.0 110.158 -177.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.461 HG23 ' CG2' ' A' ' 22' ' ' ILE . 5.6 mt -89.55 101.82 12.49 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.634 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 3.1 mm -83.32 107.43 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -177.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 18.0 tt0 -113.26 112.09 23.15 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.369 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.409 ' HG3' ' OD1' ' A' ' 19' ' ' ASP . 5.2 tpm_? -126.6 118.69 25.34 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' OD1' ' HG3' ' A' ' 18' ' ' ARG . 4.4 m-20 69.77 20.96 6.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.914 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.26 3.52 69.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.341 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 8.2 mttp -114.59 144.22 43.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.746 0.308 . . . . 0.0 110.857 -179.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.634 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 19.8 mt -103.55 145.11 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.537 -174.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.88 ' HG ' HD22 ' A' ' 106' ' ' LEU . 18.5 tp -86.03 110.11 19.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.977 -177.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.657 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 29.2 mt -103.83 135.32 45.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.943 175.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.707 ' HB1' ' HB3' ' A' ' 103' ' ' HIS . . . -116.32 128.7 55.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.68 0.276 . . . . 0.0 111.592 -178.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.117 176.8 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 120.066 -0.297 . . . . 0.0 113.486 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' ' 118' ' ' PRO . 1.5 mm? -75.49 146.4 40.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 117.584 0.692 . . . . 0.0 110.709 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.657 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 30.6 m95 -118.51 154.06 33.15 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.4 ' OE2' ' ND1' ' A' ' 103' ' ' HIS . 17.3 pt-20 -138.69 172.24 13.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.534 -176.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.561 ' HE1' HG21 ' A' ' 22' ' ' ILE . 97.7 m-85 -90.35 119.08 30.35 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 168.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.71 148.74 23.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.657 -176.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.06 -129.94 1.97 Allowed Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.496 ' HA3' ' OE2' ' A' ' 57' ' ' GLU . . . 160.21 -149.64 19.2 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.637 178.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -113.09 149.82 32.95 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.95 0.405 . . . . 0.0 110.436 -174.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.6 t -95.47 117.81 40.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.972 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.581 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 22.7 mm-40 -79.87 146.55 64.33 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 175.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.21 -5.97 10.61 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.433 2.089 . . . . 0.0 112.114 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -93.34 -16.56 24.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.361 0.6 . . . . 0.0 110.579 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.581 ' HG2' ' HB2' ' A' ' 45' ' ' GLU . 23.4 pt-20 -127.31 160.18 32.15 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.467 -172.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 m -81.56 165.4 21.17 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.908 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -63.34 -43.65 97.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.657 0.265 . . . . 0.0 111.176 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.474 ' O ' HG23 ' A' ' 55' ' ' VAL . 54.1 mtm180 -70.04 -34.01 72.69 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -66.56 -41.65 88.29 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -57.77 -51.06 71.12 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.208 177.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.715 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 20.3 mt -58.26 -46.98 85.01 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 111.176 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 51' ' ' ARG . 54.8 t -58.31 -44.02 87.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.122 -177.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.611 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 8.3 ppt_? -78.0 -40.12 40.09 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.149 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.496 ' OE2' ' HA3' ' A' ' 42' ' ' GLY . 6.5 mm-40 -57.02 -45.6 82.99 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.956 0.408 . . . . 0.0 110.852 176.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 37.9 mt -70.4 -30.71 67.67 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.252 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 59' ' ' ARG . 23.1 ttt180 -62.71 -38.21 89.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.029 0.442 . . . . 0.0 110.512 173.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.611 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 26.6 mt-10 -80.49 -43.55 20.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.58 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 5.7 mm-40 -92.12 -33.03 14.92 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -174.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.678 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 64.1 mt -114.26 4.34 15.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -174.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.41 27.92 26.7 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 114.542 0.577 . . . . 0.0 114.542 -175.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.451 HG23 ' HA ' ' A' ' 98' ' ' LEU . 46.3 pt -129.64 141.75 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-N 117.984 0.892 . . . . 0.0 111.088 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.598 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 33.7 mt-10 -93.26 96.93 10.29 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 171.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.409 ' O ' HG22 ' A' ' 55' ' ' VAL . . . -78.19 158.35 29.05 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.146 0.498 . . . . 0.0 111.373 -174.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.62 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 26.4 m -111.38 105.96 14.75 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.33 129.48 45.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -175.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.21 62.19 0.12 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 119.704 -1.236 . . . . 0.0 113.481 -176.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.596 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 12.9 pt-20 165.39 147.24 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.297 0.639 . . . . 0.0 110.299 -177.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -104.51 124.57 49.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.249 -171.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.426 HG13 ' HA ' ' A' ' 130' ' ' PHE . 91.9 t -94.5 -70.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.479 -0.489 . . . . 0.0 111.0 171.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.4 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . . . -163.34 173.5 13.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.182 178.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.8 m -136.12 148.76 48.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.127 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -139.7 133.5 30.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.008 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.518 ' HG2' ' HA ' ' A' ' 85' ' ' HIS . 24.3 mt-30 -115.27 144.51 43.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.382 0.61 . . . . 0.0 111.763 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -157.11 175.19 14.4 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -118.73 152.71 35.64 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.439 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.651 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.6 p -120.95 93.7 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 170.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.5 m 46.46 65.61 1.16 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.258 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.13 -23.19 22.31 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.972 -0.633 . . . . 0.0 113.935 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.531 ' HB2' HG13 ' A' ' 79' ' ' VAL . 48.5 mtt180 -93.64 130.06 39.7 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.194 -0.592 . . . . 0.0 110.251 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.06 115.78 30.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.087 0.47 . . . . 0.0 110.378 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.677 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -92.19 130.59 41.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.81 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.518 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 12.4 t-80 -114.32 101.29 9.03 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.421 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.656 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.1 mp -93.29 119.29 32.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.858 0.361 . . . . 0.0 110.409 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -111.63 115.29 28.9 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.58 113.19 24.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -106.38 149.94 26.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.413 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.596 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 16.2 t-80 -103.03 134.47 46.42 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 176.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.518 HG21 HD13 ' A' ' 16' ' ' ILE . 16.3 m -99.76 103.43 21.76 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-O 121.219 0.533 . . . . 0.0 111.088 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.62 ' HD2' ' O ' ' A' ' 67' ' ' THR . 20.6 Cg_endo -62.29 -21.92 73.35 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 123.223 2.615 . . . . 0.0 113.039 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -158.74 172.49 18.16 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 111.147 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.59 166.12 33.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.37 178.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.598 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 17.1 t60 -126.42 119.36 27.06 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.12 -157.48 14.93 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.737 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.7 m -126.14 131.13 52.12 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.451 ' HA ' HG23 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -76.11 118.18 18.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.605 0.716 . . . . 0.0 111.456 -171.863 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.678 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 3.2 pt20 -125.68 166.3 17.02 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.613 -1.176 . . . . 0.0 108.993 -179.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.809 ' HB1' ' O ' ' A' ' 103' ' ' HIS . . . -109.52 116.1 31.15 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.204 -176.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.58 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 20.6 t-80 -91.33 -82.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.648 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.436 ' HG3' ' ND1' ' A' ' 101' ' ' HIS . 27.9 mt-10 -97.54 9.21 43.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.465 0.65 . . . . 0.0 111.54 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.809 ' O ' ' HB1' ' A' ' 100' ' ' ALA . 22.7 m-70 -120.83 105.6 10.87 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 175.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -58.67 -38.69 78.74 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -155.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.618 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -133.9 156.75 47.55 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.627 -175.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.88 HD22 ' HG ' ' A' ' 23' ' ' LEU . 68.5 mt -134.12 128.45 34.15 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.3 p -124.46 141.24 45.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 20.2 m-90 -99.0 110.09 22.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.092 0.472 . . . . 0.0 109.745 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.49 ' HB2' ' HB2' ' A' ' 113' ' ' GLU . 7.5 p -133.46 148.0 51.72 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.93 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.487 ' HB2' ' HD2' ' A' ' 111' ' ' PRO . 12.6 p -74.52 163.31 69.14 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -177.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.504 ' O ' HD11 ' A' ' 127' ' ' LEU . 3.1 Cg_endo -46.75 -43.37 23.59 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.973 2.449 . . . . 0.0 112.746 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.01 -40.61 82.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.174 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.49 ' HB2' ' HB2' ' A' ' 109' ' ' CYS . 30.4 mm-40 -70.69 -37.98 73.65 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.67 0.271 . . . . 0.0 110.877 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.87 85.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.9 -176.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.596 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -71.67 -15.98 62.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.593 -176.17 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -82.98 -11.32 58.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.005 0.431 . . . . 0.0 110.706 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -86.89 164.19 37.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.024 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.569 ' HB2' HD12 ' A' ' 36' ' ' LEU . 58.9 Cg_endo -72.53 73.26 2.86 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.349 2.033 . . . . 0.0 112.321 178.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 72.4 mt -81.4 152.84 27.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.284 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.52 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -65.71 150.2 96.51 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 174.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.69 -12.73 22.7 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.784 2.323 . . . . 0.0 113.302 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.403 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -87.24 -25.52 23.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.888 0.375 . . . . 0.0 110.311 176.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.52 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.4 m-20 -85.38 -24.1 27.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.027 -174.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.552 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 45.9 mm -60.8 -58.13 21.48 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.116 -176.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 12.1 Cg_endo -57.66 -26.16 71.37 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 122.478 2.118 . . . . 0.0 112.632 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.6 mt -73.79 -39.42 64.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.334 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.596 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.2 tm? -76.82 -38.11 54.49 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 38.0 mt-10 -51.29 -42.42 61.12 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 176.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.483 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -82.66 -19.76 37.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.566 -178.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.426 ' HA ' HG13 ' A' ' 72' ' ' VAL . 90.3 t80 -70.16 -48.65 56.43 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.3 ptm -69.31 -33.02 72.52 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.424 177.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -61.3 -44.66 96.85 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.835 0.35 . . . . 0.0 111.144 174.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 mp -66.18 -33.93 76.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.982 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -83.08 -23.68 33.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.488 -178.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.51 -35.86 14.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.879 0.371 . . . . 0.0 111.059 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.294 -177.767 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.723 0.297 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.3 mtp -101.7 127.42 48.46 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.276 0.56 . . . . 0.0 110.035 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.801 ' HB ' HG23 ' A' ' 84' ' ' ILE . 55.1 mt -108.63 116.26 51.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.09 -176.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -94.04 122.3 36.41 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.562 ' HB ' ' HG ' ' A' ' 86' ' ' LEU . 97.1 t -124.36 136.83 59.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.407 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 2.7 m -110.59 134.99 51.05 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-O 120.951 0.405 . . . . 0.0 110.156 176.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.63 133.43 55.86 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.521 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.5 118.39 36.76 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.052 0.453 . . . . 0.0 110.663 -177.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.427 HG23 ' CG2' ' A' ' 22' ' ' ILE . 4.6 mt -95.85 99.99 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.161 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 176.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.609 HD12 HD23 ' A' ' 23' ' ' LEU . 30.3 mt -88.47 102.04 12.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.092 -176.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 19.0 tt0 -106.66 111.8 24.5 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -176.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -119.75 113.66 20.96 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.303 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 61.65 31.52 18.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.751 -178.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.408 ' HA2' ' NH2' ' A' ' 134' ' ' ARG . . . 89.14 9.35 67.58 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.156 -1.021 . . . . 0.0 112.874 177.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 9.6 mttp -121.3 141.08 51.26 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.623 -0.34 . . . . 0.0 110.149 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.483 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 21.6 mt -102.98 147.88 8.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -176.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.609 HD23 HD12 ' A' ' 16' ' ' ILE . 40.7 tp -90.19 121.59 32.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.27 0.557 . . . . 0.0 111.062 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.521 ' HG ' ' HE1' ' A' ' 39' ' ' PHE . 7.2 mp -112.13 136.69 51.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.085 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.83 115.46 25.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.992 0.425 . . . . 0.0 110.521 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 37' ' ' TRP . 35.7 tt0 . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.018 -175.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 113.971 0.349 . . . . 0.0 113.971 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.535 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 5.8 mp -75.48 146.48 40.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.021 0.438 . . . . 0.0 111.476 -177.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 59.5 m95 -112.74 151.31 30.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.962 -178.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -140.17 150.21 43.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.105 173.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.521 ' HE1' ' HG ' ' A' ' 24' ' ' LEU . 10.1 m-30 -77.83 129.85 35.94 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 172.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.55 158.54 29.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.212 0.529 . . . . 0.0 111.868 -172.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.98 -141.84 7.26 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -177.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.25 174.82 38.05 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.701 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -78.88 151.85 31.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.9 0.381 . . . . 0.0 110.235 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.1 t -98.66 131.72 45.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.533 ' HG3' ' HD2' ' A' ' 46' ' ' PRO . 3.4 tp10 -93.64 143.14 26.09 Favored Pre-proline 0 C--N 1.316 -0.856 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 173.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.533 ' HD2' ' HG3' ' A' ' 45' ' ' GLU . 37.5 Cg_endo -66.18 14.67 0.11 Allowed 'Trans proline' 0 N--CA 1.478 0.605 0 C-N-CA 123.013 2.475 . . . . 0.0 113.513 -177.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' A' ' 45' ' ' GLU . 15.8 t70 -109.92 -15.76 14.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.357 0.598 . . . . 0.0 110.881 176.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 18.0 pt-20 -118.7 171.65 8.05 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.996 -174.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.9 t -90.26 156.89 17.97 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -65.73 -43.26 89.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.154 -175.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.452 ' HB3' ' HB ' ' A' ' 68' ' ' VAL . 42.9 mtm180 -72.34 -27.68 62.57 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.444 177.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -69.13 -38.2 78.72 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.37 -42.89 99.44 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.445 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.659 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 31.6 mt -62.69 -46.86 86.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.038 0.447 . . . . 0.0 110.815 176.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.1 t -58.96 -43.25 88.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.431 -177.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 57' ' ' GLU . 14.7 ptt85 -73.33 -44.8 58.2 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.958 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 4.9 mm-40 -61.26 -43.07 99.48 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -177.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 55.4 mt -68.21 -32.45 72.67 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.583 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -65.82 -35.46 80.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.233 0.539 . . . . 0.0 110.939 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -86.75 -34.15 19.72 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.119 -176.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.626 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 67.8 mm-40 -88.22 -52.01 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.586 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 49.9 mt -102.17 5.77 40.43 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -171.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 55.76 22.29 32.81 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 114.591 0.596 . . . . 0.0 114.591 -176.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.526 HG21 HD23 ' A' ' 98' ' ' LEU . 38.2 pt -122.93 142.12 40.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 117.91 0.855 . . . . 0.0 112.245 -177.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 29.4 mt-10 -89.68 103.3 15.96 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.623 174.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.86 153.35 18.3 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.073 0.463 . . . . 0.0 111.685 -174.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.601 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 30.3 m -114.73 104.39 11.92 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.03 174.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.579 ' HA ' HG12 ' A' ' 91' ' ' VAL . 12.0 t -85.14 126.81 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.439 -174.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -128.43 -84.96 0.45 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.096 -1.049 . . . . 0.0 113.715 -173.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.62 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 7.9 pt-20 -84.07 130.39 34.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.578 0.704 . . . . 0.0 112.061 -169.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -79.15 131.74 36.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.368 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.414 HG13 HD22 ' A' ' 133' ' ' LEU . 92.7 t -97.56 -70.45 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 120.677 0.275 . . . . 0.0 111.292 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -162.19 178.41 8.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.536 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.7 t -144.44 152.39 40.57 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -135.46 139.27 43.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.755 0.312 . . . . 0.0 110.603 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -101.16 140.36 35.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.387 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.528 ' HG3' HG13 ' A' ' 84' ' ' ILE . 5.5 ptm180 -158.41 175.48 13.65 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 174.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 6.9 pt-20 -118.73 150.41 39.82 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.062 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.674 ' HB ' HD11 ' A' ' 84' ' ' ILE . 3.2 p -120.51 94.43 3.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.432 -0.804 . . . . 0.0 108.847 170.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m 49.19 60.75 3.53 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.928 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.91 -12.28 67.94 Favored Glycine 0 CA--C 1.522 0.496 0 C-N-CA 120.653 -0.784 . . . . 0.0 114.296 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.497 ' HB2' HG13 ' A' ' 79' ' ' VAL . 83.9 mtt180 -102.95 134.28 46.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.69 0.745 . . . . 0.0 110.312 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mp -93.37 110.41 23.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.079 0.466 . . . . 0.0 110.815 -174.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.801 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -94.22 141.55 14.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.462 0.649 . . . . 0.0 111.712 -179.673 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -123.72 98.59 5.89 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.178 176.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.562 ' HG ' ' HB ' ' A' ' 11' ' ' VAL . 6.7 mp -90.09 127.67 36.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.043 -175.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -108.11 116.22 31.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.989 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.08 113.58 25.57 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.968 0.413 . . . . 0.0 110.342 177.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.75 138.66 49.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.784 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.62 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 6.6 t60 -88.4 115.76 26.14 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.579 HG12 ' HA ' ' A' ' 68' ' ' VAL . 16.2 m -94.16 108.5 36.18 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 121.082 0.467 . . . . 0.0 110.24 176.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.601 ' HD2' ' O ' ' A' ' 67' ' ' THR . 72.2 Cg_endo -77.65 -13.33 16.37 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.733 2.289 . . . . 0.0 112.681 -178.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.598 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 10.1 t70 -139.79 140.16 36.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.152 0.501 . . . . 0.0 111.058 -176.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.401 ' HB2' HD12 ' A' ' 64' ' ' ILE . 31.1 p90 -150.1 134.63 17.42 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.28 176.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.42 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 43.1 t-80 -114.49 119.35 36.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.274 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.62 -169.11 23.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.435 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 26.6 m -116.98 124.07 48.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.962 0.41 . . . . 0.0 110.419 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.526 HD23 HG21 ' A' ' 64' ' ' ILE . 4.0 mt -57.19 123.98 17.19 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.452 -177.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.586 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.9 pt20 -140.79 156.21 46.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.347 177.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.488 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -107.06 101.46 10.88 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -77.92 -72.36 0.37 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.125 0.488 . . . . 0.0 110.582 173.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.626 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 1.8 mm-40 -85.29 11.14 10.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.294 0.569 . . . . 0.0 111.283 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -129.78 172.67 11.41 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.087 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -99.88 -75.78 0.56 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.864 0.364 . . . . 0.0 111.191 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.2 158.22 23.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.62 -177.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.488 HD13 ' HB2' ' A' ' 100' ' ' ALA . 9.1 mp -123.7 137.76 54.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.085 178.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.9 p -135.0 147.28 29.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.079 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.429 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 36.0 p90 -113.51 116.56 29.76 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.429 175.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 26.2 p -139.73 156.98 46.49 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.487 -176.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.518 ' OG ' ' HD2' ' A' ' 111' ' ' PRO . 8.5 t -67.51 150.68 97.73 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -177.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.566 ' O ' HD11 ' A' ' 127' ' ' LEU . 1.3 Cg_endo -46.67 -48.87 13.08 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.664 2.909 . . . . 0.0 114.208 -175.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.77 -30.39 67.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.738 0.304 . . . . 0.0 110.278 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.45 ' HA ' ' NE2' ' A' ' 116' ' ' GLN . 16.9 mm-40 -67.25 -39.67 86.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.021 176.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.56 88.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.583 -179.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.575 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -71.99 -12.11 61.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.046 0.451 . . . . 0.0 110.68 -176.192 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.45 ' NE2' ' HA ' ' A' ' 113' ' ' GLU . 57.0 mt-30 -82.76 -14.96 53.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.347 175.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.446 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 40.1 m-85 -89.28 165.21 27.21 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.503 -177.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.535 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 43.5 Cg_endo -72.2 85.92 1.0 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 122.144 1.896 . . . . 0.0 111.554 177.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 72.0 mt -96.58 153.68 17.71 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.492 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 124' ' ' ILE . . . -64.37 151.66 90.62 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.909 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.09 -17.52 38.76 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.123 2.549 . . . . 0.0 113.205 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.515 ' HB2' ' HD2' ' A' ' 77' ' ' ARG . . . -95.67 -19.34 19.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.68 0.276 . . . . 0.0 110.796 177.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -84.5 -30.88 24.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.868 -175.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.537 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 76.8 mt -63.29 -57.36 20.83 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.613 -176.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 12.3 Cg_endo -55.83 -30.86 78.64 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.56 2.174 . . . . 0.0 112.629 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 99.3 mt -72.25 -41.52 66.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.108 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.575 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.1 tm? -71.42 -39.4 71.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.154 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 27.2 mt-10 -53.98 -40.99 67.4 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-O 120.65 0.262 . . . . 0.0 111.013 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.23 -23.64 40.73 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.661 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.613 ' CE2' ' HD2' ' A' ' 134' ' ' ARG . 85.0 t80 -70.84 -46.44 62.71 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.4 ptm -65.52 -33.48 76.02 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.589 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.55 92.81 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.738 0.304 . . . . 0.0 111.091 173.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.414 HD22 HG13 ' A' ' 72' ' ' VAL . 3.3 mp -66.26 -40.47 90.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.43 -176.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.613 ' HD2' ' CE2' ' A' ' 130' ' ' PHE . 18.4 mtp-105 -75.22 -25.69 58.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.545 0.212 . . . . 0.0 111.341 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -87.22 -36.17 18.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.754 0.311 . . . . 0.0 111.266 -176.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.903 -178.877 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? . . . . . 0 CA--C 1.516 -0.337 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.2 mtp -104.5 126.41 51.57 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.646 0.736 . . . . 0.0 111.693 -175.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.555 ' HB ' HG23 ' A' ' 84' ' ' ILE . 26.1 mt -107.29 120.74 59.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.819 178.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -100.01 123.92 44.79 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -177.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 96.6 t -125.82 125.12 67.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.351 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.4 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 6.1 m -101.5 133.38 45.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.271 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.52 129.76 56.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.003 -179.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.601 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -103.05 113.88 27.71 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.053 0.454 . . . . 0.0 110.359 -177.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.535 HG23 HG23 ' A' ' 22' ' ' ILE . 5.7 mt -91.5 101.13 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.7 HG13 HD23 ' A' ' 23' ' ' LEU . 1.3 mm -85.83 102.02 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -179.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.607 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . 4.5 tm-20 -123.27 122.16 37.66 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.456 -175.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.988 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -151.69 146.57 25.88 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.175 -0.92 . . . . 0.0 108.969 175.548 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 73.72 0.98 3.8 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.787 0.679 . . . . 0.0 110.525 -176.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.19 6.11 55.76 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -176.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.56 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 24.8 mttt -121.17 147.15 45.98 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -175.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.555 HG21 ' HE1' ' A' ' 39' ' ' PHE . 8.8 mt -104.8 147.76 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.628 -177.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.862 HD11 ' HG ' ' A' ' 106' ' ' LEU . 40.2 tp -86.72 123.29 31.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.572 -178.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.617 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 58.5 mt -117.09 154.9 30.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.05 173.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.512 ' HA ' ' O ' ' A' ' 105' ' ' ALA . . . -131.01 123.2 28.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.994 0.426 . . . . 0.0 111.567 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.535 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.439 0 N-CA-C 112.793 -0.123 . . . . 0.0 112.793 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.597 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 6.3 mp -77.8 151.38 34.01 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.804 0.335 . . . . 0.0 111.38 -178.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.617 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 13.2 m95 -122.22 159.2 27.78 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 177.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.441 ' OE2' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -152.44 -178.08 6.61 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 178.543 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.555 ' HE1' HG21 ' A' ' 22' ' ' ILE . 98.8 m-85 -90.99 127.85 36.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 175.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.33 155.98 30.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 155.41 -130.52 2.82 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -177.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.02 178.6 32.21 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.54 177.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -79.87 151.8 29.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.39 -0.405 . . . . 0.0 110.113 178.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.0 t -99.14 128.39 50.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -177.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.555 ' HG3' ' HD2' ' A' ' 46' ' ' PRO . 4.0 tp10 -100.45 145.17 29.84 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 175.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.555 ' HD2' ' HG3' ' A' ' 45' ' ' GLU . 9.4 Cg_endo -52.8 -20.36 12.76 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.045 2.496 . . . . 0.0 113.173 -178.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -72.58 -20.61 61.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.774 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.406 ' OE1' ' HA ' ' A' ' 53' ' ' ALA . 12.5 pt-20 -126.98 152.11 47.64 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.113 0.483 . . . . 0.0 110.944 -174.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.4 t -83.82 169.25 15.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.652 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.437 ' HB3' ' HH2' ' A' ' 89' ' ' TRP . 96.0 mt-30 -59.05 -51.81 68.46 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -175.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.463 ' O ' HG23 ' A' ' 55' ' ' VAL . 59.5 mtt180 -72.98 -30.9 64.17 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -64.64 -38.95 92.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.749 -179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' HA ' ' OE1' ' A' ' 48' ' ' GLU . . . -58.49 -51.83 68.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.484 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.722 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 22.7 mt -59.87 -47.44 85.74 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 120.709 0.29 . . . . 0.0 111.144 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 51' ' ' ARG . 86.4 t -59.03 -46.43 91.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.883 -177.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.571 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 5.3 ppt_? -74.31 -39.69 62.72 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.211 -177.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.407 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 5.1 mm-40 -60.95 -46.59 90.08 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.596 0.236 . . . . 0.0 111.25 177.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.722 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 32.6 mt -66.51 -32.97 74.67 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.08 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -60.62 -34.58 74.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.162 174.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 28.4 mt-10 -87.08 -37.05 17.77 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -178.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.587 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 2.1 mt-10 -89.35 -52.55 4.98 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.752 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.674 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 43.2 mt -97.64 4.14 50.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -171.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 45.21 37.48 5.97 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 114.635 0.614 . . . . 0.0 114.635 -175.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.461 HG12 ' HB2' ' A' ' 62' ' ' LEU . 36.0 pt -129.87 144.38 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 117.839 0.819 . . . . 0.0 111.792 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.475 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 7.6 mm-40 -89.35 93.4 9.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.848 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.93 157.11 22.04 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.478 -174.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.575 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 38.1 m -119.46 103.93 9.89 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.219 176.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.4 t -76.06 117.22 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.635 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.509 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . -162.76 62.73 0.26 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 119.847 -1.168 . . . . 0.0 113.973 -172.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.509 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 11.9 pt-20 158.46 148.03 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.208 1.003 . . . . 0.0 109.546 173.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.624 ' HA ' ' HD1' ' A' ' 89' ' ' TRP . 0.2 OUTLIER -104.26 127.51 51.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.268 -173.758 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.432 ' HB ' ' O ' ' A' ' 88' ' ' ALA . 85.5 t -97.81 -70.02 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.952 172.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -163.95 165.25 22.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 111.722 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 72.3 m -131.21 145.08 51.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.181 174.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -131.6 140.82 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.329 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -110.0 146.77 34.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.223 0.535 . . . . 0.0 111.283 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.483 ' HG3' HG13 ' A' ' 84' ' ' ILE . 15.2 ptt180 -158.55 174.19 15.46 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 172.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 6.7 pt-20 -118.8 151.52 37.9 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 119.245 -0.982 . . . . 0.0 111.716 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.593 ' HB ' HD11 ' A' ' 84' ' ' ILE . 3.8 p -126.33 94.92 2.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.678 172.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.2 m 53.06 66.88 1.1 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.784 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.19 17.25 71.89 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 116.089 -0.505 . . . . 0.0 113.916 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 78' ' ' GLU . 91.3 mtt180 -127.97 131.24 49.28 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mp -94.13 114.84 31.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.066 0.46 . . . . 0.0 110.389 -173.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.593 HD11 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -89.09 131.24 36.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.382 178.123 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -116.57 96.86 5.7 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.943 -176.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.593 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.2 mp -88.93 128.82 35.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 -176.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -109.24 112.98 25.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.668 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.432 ' O ' ' HB ' ' A' ' 72' ' ' VAL . . . -93.75 107.04 18.97 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.023 0.44 . . . . 0.0 110.372 177.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.624 ' HD1' ' HA ' ' A' ' 71' ' ' TYR . 7.6 m0 -111.05 150.4 29.39 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.41 177.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.607 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 39.6 t-80 -95.65 130.85 42.4 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.673 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.5 t -91.22 104.32 9.45 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.015 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.575 ' HD2' ' O ' ' A' ' 67' ' ' THR . 61.3 Cg_endo -75.45 -27.48 9.28 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.806 2.338 . . . . 0.0 112.627 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -153.18 141.93 21.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.683 -176.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -146.07 142.59 28.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.85 0.357 . . . . 0.0 110.587 178.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 76.7 t60 -103.84 121.83 43.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 126.07 -166.25 18.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.861 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 26.0 m -117.95 120.09 36.78 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.889 HD23 ' H ' ' A' ' 98' ' ' LEU . 1.3 pt? -72.5 119.2 16.38 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.962 -174.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.674 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.0 pt20 -123.3 169.15 11.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.576 -176.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.533 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -113.94 104.53 12.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.816 0.341 . . . . 0.0 110.41 177.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -89.98 -69.09 0.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.222 -178.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.587 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 60.9 mm-40 -77.19 -36.99 54.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.218 0.532 . . . . 0.0 109.878 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -86.96 156.86 19.62 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 174.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -95.83 -47.8 6.0 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -168.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.512 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -115.67 147.71 40.54 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.674 -178.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.862 ' HG ' HD11 ' A' ' 23' ' ' LEU . 2.5 tp -131.73 122.06 25.26 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -178.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.4 p -131.54 148.91 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.821 0.343 . . . . 0.0 111.591 -172.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.504 ' CZ2' HD11 ' A' ' 98' ' ' LEU . 10.8 m-90 -105.59 115.13 29.73 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 172.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.7 p -125.26 150.63 46.89 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.302 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.493 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 24.5 m -66.71 157.38 83.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.41 ' O ' HD11 ' A' ' 127' ' ' LEU . 2.5 Cg_endo -46.69 -52.67 7.18 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.969 2.446 . . . . 0.0 112.992 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.07 -28.5 68.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.75 0.31 . . . . 0.0 111.188 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.493 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 16.4 mm-40 -67.13 -41.33 86.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.317 178.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.04 -41.63 83.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.195 -174.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.598 HD23 HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -73.15 -11.85 60.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.645 0.259 . . . . 0.0 111.329 -177.48 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.457 HE21 ' HA ' ' A' ' 113' ' ' GLU . 45.7 mt-30 -87.67 -8.26 56.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.206 0.527 . . . . 0.0 110.382 173.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.412 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 7.9 m-85 -88.68 154.69 50.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.612 178.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.597 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 37.0 Cg_endo -66.86 79.86 0.36 Allowed 'Trans proline' 0 CA--C 1.529 0.249 0 C-N-CA 122.365 2.043 . . . . 0.0 112.15 177.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 123' ' ' ASP . 84.3 mt -89.38 153.73 20.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.273 178.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.568 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -72.65 160.06 83.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.577 177.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.527 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 18.9 Cg_endo -59.9 -13.03 20.76 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.227 2.618 . . . . 0.0 113.46 -177.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.502 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -93.01 -30.14 15.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.752 0.311 . . . . 0.0 110.659 178.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.568 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 3.8 m-20 -79.48 -29.24 41.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.874 -175.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.459 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 82.6 mt -60.01 -59.97 12.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.962 -176.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.459 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 15.9 Cg_endo -57.98 -26.57 75.47 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.428 2.085 . . . . 0.0 112.839 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.9 mt -75.23 -42.61 55.0 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.833 0.349 . . . . 0.0 110.317 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.598 HD12 HD23 ' A' ' 115' ' ' LEU . 2.8 tm? -73.58 -37.59 65.44 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -51.67 -42.15 61.91 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.739 0.304 . . . . 0.0 110.483 176.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.449 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -82.69 -21.66 34.79 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.447 ' HB3' HD22 ' A' ' 127' ' ' LEU . 85.9 t80 -70.52 -45.94 64.59 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 178.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.2 ptm -69.4 -33.12 72.54 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.57 175.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -60.56 -44.33 96.27 Favored 'General case' 0 C--N 1.338 0.085 0 CA-C-O 120.869 0.366 . . . . 0.0 111.384 174.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.51 -32.84 73.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.389 -176.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 134' ' ' ARG . 29.3 mtp180 -93.71 -17.4 23.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.496 -176.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.48 -39.02 12.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.055 0.455 . . . . 0.0 110.429 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.322 179.486 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.1 mtt -99.75 130.83 46.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.55 0.691 . . . . 0.0 111.333 -177.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.587 ' HB ' HG23 ' A' ' 84' ' ' ILE . 23.3 mt -106.45 109.93 29.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 114.724 -1.125 . . . . 0.0 108.251 176.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -96.27 125.17 40.6 Favored 'General case' 0 C--N 1.305 -1.345 0 C-N-CA 120.394 -0.523 . . . . 0.0 109.75 -175.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.62 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 89.8 t -125.29 128.62 72.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -178.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.414 HG12 ' HB2' ' A' ' 87' ' ' HIS . 2.5 m -100.0 133.25 43.6 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.48 133.19 55.35 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.604 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.67 115.85 31.4 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.128 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.447 HG23 ' CG2' ' A' ' 22' ' ' ILE . 4.8 mt -93.68 98.89 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 174.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.563 HD12 HD23 ' A' ' 23' ' ' LEU . 46.9 mt -91.5 104.12 15.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -176.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.566 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 43.5 tt0 -109.27 112.2 24.21 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.003 -174.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.432 ' NH1' ' HA ' ' A' ' 93' ' ' ASP . 6.7 tpt180 -123.64 121.97 36.94 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.417 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 68.68 14.33 8.99 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.828 0.705 . . . . 0.0 111.275 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.93 2.89 58.2 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.395 -0.907 . . . . 0.0 112.326 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 9.4 mttp -113.34 150.06 33.12 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.536 ' O ' ' HA ' ' A' ' 108' ' ' TRP . 17.3 mt -104.18 148.48 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -177.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.563 HD23 HD12 ' A' ' 16' ' ' ILE . 42.9 tp -89.1 119.61 29.76 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.145 0.498 . . . . 0.0 111.365 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.668 HD22 ' HE3' ' A' ' 37' ' ' TRP . 7.0 mp -115.24 147.62 40.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.119 177.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.41 116.77 26.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.931 0.396 . . . . 0.0 111.312 -178.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.238 0.448 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.198 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.684 0 N-CA-C 112.669 -0.173 . . . . 0.0 112.669 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.469 ' HA ' ' HG2' ' A' ' 118' ' ' PRO . 11.4 mt -75.6 145.85 40.83 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.86 0.362 . . . . 0.0 111.138 178.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.668 ' HE3' HD22 ' A' ' 24' ' ' LEU . 27.7 m0 -108.59 147.75 31.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.815 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.406 ' OE2' ' HE1' ' A' ' 103' ' ' HIS . 9.5 pt-20 -146.91 159.89 42.99 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -79.72 153.54 29.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.798 0.332 . . . . 0.0 110.421 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.46 160.8 23.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.756 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.13 -139.61 7.04 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -178.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.88 177.04 37.77 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.317 -0.944 . . . . 0.0 112.884 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -77.9 152.12 33.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.014 0.435 . . . . 0.0 110.562 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -98.7 120.43 48.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -86.08 157.68 56.56 Favored Pre-proline 0 C--N 1.319 -0.737 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -74.5 3.32 5.44 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.416 2.077 . . . . 0.0 112.127 -174.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -101.73 -7.77 22.32 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.06 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -131.74 170.02 15.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.498 0.666 . . . . 0.0 112.362 -170.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.0 m -96.81 162.03 13.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.142 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -57.0 -55.22 37.5 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.817 0.341 . . . . 0.0 111.142 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.448 ' O ' HG23 ' A' ' 55' ' ' VAL . 49.7 mtt180 -65.55 -31.68 72.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.143 0.497 . . . . 0.0 110.171 -179.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -70.08 -39.95 75.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.313 -176.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.67 96.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.649 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.604 HD22 ' HB2' ' A' ' 14' ' ' ALA . 38.7 mt -62.72 -46.67 87.03 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 111.141 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 51' ' ' ARG . 53.1 t -59.51 -42.28 87.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.344 -177.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.585 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 11.9 ptt85 -76.39 -42.86 42.99 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.286 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.498 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 5.6 mm-40 -58.48 -49.88 75.76 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.7 0.286 . . . . 0.0 111.08 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.596 ' HG ' HD12 ' A' ' 62' ' ' LEU . 9.9 mp -62.33 -32.71 73.51 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.296 176.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -63.86 -37.79 88.68 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.73 174.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 29.2 mt-10 -80.3 -45.47 17.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.971 -178.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.59 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 67.1 mm-40 -84.64 -51.75 6.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.524 -176.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.742 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 63.9 mt -100.17 7.28 44.64 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.709 -172.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 45.46 34.6 4.96 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 115.007 0.763 . . . . 0.0 115.007 -175.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.516 HG23 ' O ' ' A' ' 62' ' ' LEU . 47.8 pt -124.91 146.48 30.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 117.859 0.83 . . . . 0.0 112.014 -178.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 31.8 mt-10 -90.09 93.39 9.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.497 -0.774 . . . . 0.0 108.969 172.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.67 149.12 28.67 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.151 0.5 . . . . 0.0 111.612 -176.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.702 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 40.5 m -112.51 104.11 12.21 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.046 175.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.447 ' HB ' ' HB3' ' A' ' 51' ' ' ARG . 49.5 t -88.15 122.26 39.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.863 -176.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.479 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . -167.52 76.71 0.12 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 119.755 -1.212 . . . . 0.0 114.152 -175.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.656 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 12.2 pt-20 146.95 119.39 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.559 1.544 . . . . 0.0 109.324 172.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.43 131.5 35.6 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.1 -176.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.5 t -97.07 -69.95 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.338 176.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.69 171.47 20.26 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.85 0.357 . . . . 0.0 111.321 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.7 p -136.67 147.32 46.76 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 176.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -139.52 147.21 40.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.859 0.361 . . . . 0.0 110.51 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.412 ' HG3' ' HD2' ' A' ' 85' ' ' HIS . 38.4 mt-30 -112.56 141.69 46.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.226 176.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.609 ' HD3' ' HB2' ' A' ' 122' ' ' ALA . 18.4 ptt180 -148.16 170.61 17.46 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 173.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -119.91 149.42 42.12 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 119.374 -0.931 . . . . 0.0 111.626 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.658 ' HB ' HD11 ' A' ' 84' ' ' ILE . 3.2 p -126.22 96.22 3.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.502 173.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 m 51.12 65.47 1.47 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.67 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.84 14.34 70.24 Favored Glycine 0 CA--C 1.521 0.427 0 CA-C-N 116.249 -0.432 . . . . 0.0 113.989 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.509 ' HB2' HG13 ' A' ' 79' ' ' VAL . 85.7 mtt180 -119.09 133.01 56.05 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 175.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.401 HD12 ' N ' ' A' ' 83' ' ' ILE . 1.9 mp -95.06 109.99 23.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.159 0.504 . . . . 0.0 110.575 -173.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.658 HD11 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -86.49 129.8 37.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.163 179.769 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.412 ' HD2' ' HG3' ' A' ' 76' ' ' GLN . 9.6 t-160 -119.16 97.98 5.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.808 -175.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.62 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.2 mp -87.31 132.41 33.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.592 -175.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.414 ' HB2' HG12 ' A' ' 12' ' ' VAL . 48.6 m-70 -113.53 112.72 24.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.73 176.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.5 ' HB2' HD23 ' A' ' 126' ' ' LEU . . . -90.14 110.47 21.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.129 0.49 . . . . 0.0 110.895 179.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.427 ' HB3' HG13 ' A' ' 68' ' ' VAL . 82.8 m95 -108.09 136.72 47.3 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.626 176.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.656 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 45.9 t-80 -84.9 125.66 32.83 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.47 ' HB ' ' HA ' ' A' ' 16' ' ' ILE . 61.8 t -91.43 101.69 4.65 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.634 175.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.702 ' HD2' ' O ' ' A' ' 67' ' ' THR . 55.5 Cg_endo -71.68 -22.62 23.85 Favored 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 122.816 2.344 . . . . 0.0 112.436 -179.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 38.7 t70 -158.05 148.68 20.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.983 0.421 . . . . 0.0 111.505 -178.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -143.72 145.45 32.43 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 37.3 t-80 -109.81 120.31 42.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.684 0.278 . . . . 0.0 110.559 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 130.48 -165.64 22.63 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.202 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 89.7 m -122.17 129.32 52.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.015 0.436 . . . . 0.0 110.697 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.511 ' HB3' HD23 ' A' ' 106' ' ' LEU . 18.6 mt -59.54 129.34 41.5 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.946 -1.024 . . . . 0.0 112.007 -176.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.742 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 9.7 pt20 -140.27 155.78 46.73 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.342 175.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.58 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -111.47 124.14 51.66 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.638 0.256 . . . . 0.0 111.488 177.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -98.0 -66.55 0.89 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.065 0.459 . . . . 0.0 110.292 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.59 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 12.4 mm-40 -76.89 -29.66 55.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.052 177.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.406 ' HE1' ' OE2' ' A' ' 38' ' ' GLU . 53.6 m-70 -96.96 163.82 12.79 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.672 -175.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -94.78 -64.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.985 0.421 . . . . 0.0 111.023 -175.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.32 149.04 28.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.792 -175.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.58 HD13 ' HB2' ' A' ' 100' ' ' ALA . 1.4 tp -123.64 125.15 44.3 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.4 p -137.76 128.72 38.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.389 0.614 . . . . 0.0 111.457 -173.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.536 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 23.1 p90 -94.78 125.38 39.4 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.317 172.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.558 ' SG ' HD13 ' A' ' 24' ' ' LEU . 26.0 p -144.11 157.97 44.0 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.692 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.491 ' HB2' ' HG3' ' A' ' 113' ' ' GLU . 5.6 m -71.38 155.12 93.19 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -175.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.536 ' O ' HD11 ' A' ' 127' ' ' LEU . 48.7 Cg_exo -47.25 -49.74 12.38 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.06 2.506 . . . . 0.0 113.079 -178.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 1.6 pm0 -65.87 -36.31 83.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.959 -177.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.491 ' HG3' ' HB2' ' A' ' 110' ' ' SER . 28.7 mt-10 -67.14 -38.65 85.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.979 0.418 . . . . 0.0 110.153 177.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.25 90.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.726 -176.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.622 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -71.36 -16.07 62.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.711 0.291 . . . . 0.0 111.232 -175.501 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 112' ' ' GLU . 52.4 mt-30 -79.92 -8.13 59.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.022 0.439 . . . . 0.0 110.879 177.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.524 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 32.2 m-85 -100.81 165.71 13.78 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.765 -178.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.524 ' HD2' ' HB3' ' A' ' 117' ' ' TYR . 55.8 Cg_endo -70.29 76.82 1.32 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.524 2.149 . . . . 0.0 112.705 -178.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.434 HD21 HD23 ' A' ' 24' ' ' LEU . 41.9 mt -86.48 152.76 22.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.2 176.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.516 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -68.12 155.2 92.64 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.659 178.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.432 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 17.7 Cg_endo -59.37 -13.96 22.77 Favored 'Trans proline' 0 CA--C 1.534 0.502 0 C-N-CA 123.197 2.598 . . . . 0.0 114.214 -174.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.609 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -98.18 -25.52 14.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.017 -0.427 . . . . 0.0 111.068 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.516 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 2.0 m-20 -78.27 -26.25 47.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.854 -178.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.468 HG23 HD11 ' A' ' 115' ' ' LEU . 80.3 mt -62.94 -59.03 13.6 Favored Pre-proline 0 CA--C 1.537 0.468 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.33 -179.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.46 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 10.4 Cg_endo -55.49 -32.12 81.14 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.85 2.367 . . . . 0.0 112.904 179.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.5 HD23 ' HB2' ' A' ' 88' ' ' ALA . 5.0 mp -73.73 -45.31 52.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.991 0.424 . . . . 0.0 110.506 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.622 ' HB3' HD23 ' A' ' 115' ' ' LEU . 2.9 tm? -69.83 -38.45 76.53 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.808 178.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -49.99 -44.79 51.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.345 176.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.468 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -80.91 -20.68 41.59 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.574 -179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -74.1 -47.36 36.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.8 ptm -68.16 -32.64 73.05 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.618 174.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.468 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -59.22 -40.13 84.86 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.124 0.488 . . . . 0.0 110.766 172.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 mp -67.65 -35.28 78.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.543 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -81.26 -17.89 47.88 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -86.41 -35.39 19.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.129 0.49 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.334 178.499 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt . . . . . 0 N--CA 1.451 -0.396 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.8 mtp -94.45 127.87 40.64 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.41 0.624 . . . . 0.0 110.755 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.642 ' HB ' HG23 ' A' ' 84' ' ' ILE . 40.4 mt -108.42 104.81 17.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.261 178.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -97.59 118.71 34.71 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -174.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.588 ' HB ' ' HG ' ' A' ' 86' ' ' LEU . 93.9 t -118.03 141.23 38.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.649 -174.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.06 132.05 62.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.059 0.457 . . . . 0.0 110.713 177.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.62 126.66 55.6 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.299 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.625 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.82 109.57 21.19 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.136 0.493 . . . . 0.0 109.981 -178.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.489 HG23 HG23 ' A' ' 22' ' ' ILE . 7.6 mt -92.52 105.02 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.062 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.133 178.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.733 HG13 HD23 ' A' ' 23' ' ' LEU . 2.7 mm -82.3 102.13 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.612 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . 3.2 tm-20 -116.85 117.1 28.8 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.417 ' HG3' ' OD2' ' A' ' 19' ' ' ASP . 25.3 tpt180 -136.61 127.69 27.84 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.306 -177.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.417 ' OD2' ' HG3' ' A' ' 18' ' ' ARG . 41.7 m-20 66.9 17.59 10.54 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.491 0.494 . . . . 0.0 111.208 178.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.24 4.82 66.16 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.996 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 12.5 mmtp -115.71 141.05 48.6 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -178.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.489 HG23 HG23 ' A' ' 15' ' ' ILE . 49.0 mt -103.63 144.65 13.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.932 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.733 HD23 HG13 ' A' ' 16' ' ' ILE . 50.7 tp -83.4 109.69 17.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.654 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.49 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 7.3 mp -98.71 127.81 44.76 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 175.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.08 112.9 20.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.675 0.274 . . . . 0.0 110.541 -177.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.512 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 7.1 tt0 . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.895 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.315 -0.314 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.512 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 26.4 mt -77.92 154.08 31.98 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 122.566 0.346 . . . . 0.0 110.666 177.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.615 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 73.0 m95 -113.52 140.91 47.74 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 175.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 37.8 mp0 -141.82 166.17 25.46 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -177.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.467 ' HE1' HG21 ' A' ' 22' ' ' ILE . 60.6 m-85 -82.89 159.86 22.26 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.36 175.91 7.14 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.35 -135.41 6.83 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.6 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.538 ' O ' HG13 ' A' ' 11' ' ' VAL . . . 170.29 -145.23 8.96 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.196 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -124.84 152.59 43.76 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -175.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.9 t -95.59 113.82 30.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.0 -175.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.488 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 34.7 mm-40 -82.29 141.15 45.82 Favored Pre-proline 0 N--CA 1.442 -0.847 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 175.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -50.74 -37.07 53.45 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.804 2.336 . . . . 0.0 112.537 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -78.57 -2.48 39.06 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -176.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.488 ' HG2' ' HB2' ' A' ' 45' ' ' GLU . 12.6 pt-20 -129.5 173.99 10.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.121 0.486 . . . . 0.0 111.471 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 t -105.44 164.28 11.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.921 -175.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -60.11 -55.12 37.77 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.338 -178.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.495 ' O ' HG23 ' A' ' 55' ' ' VAL . 58.4 mtt180 -61.63 -32.8 72.96 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-O 120.877 0.37 . . . . 0.0 110.171 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -70.74 -46.14 63.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.275 -177.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.492 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -59.24 -46.31 88.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.747 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.725 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 27.2 mt -61.19 -45.23 95.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.206 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 51' ' ' ARG . 46.8 t -61.72 -45.45 98.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.026 -177.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -71.28 -39.65 71.38 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.078 -176.528 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.6 -46.65 81.77 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.725 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 26.5 mt -66.08 -33.99 77.04 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.57 -178.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -56.88 -34.22 67.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.95 0.405 . . . . 0.0 110.718 174.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -89.66 -43.03 11.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.933 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.591 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 69.7 mm-40 -89.71 -38.36 13.91 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -173.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.461 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 57.3 mt -101.54 -19.82 15.33 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.633 -175.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.54 15.29 71.43 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.075 -1.059 . . . . 0.0 111.917 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.462 HD12 ' CB ' ' A' ' 94' ' ' PHE . 45.4 pt -123.21 144.14 33.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.856 0.36 . . . . 0.0 111.177 -177.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -86.56 99.72 11.89 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 171.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.415 ' CB ' HD12 ' A' ' 58' ' ' LEU . . . -84.97 148.14 26.36 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.308 0.575 . . . . 0.0 111.971 -172.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.661 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 40.7 m -111.75 106.17 14.87 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.013 174.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.5 t -92.71 124.43 45.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -177.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.446 ' HA2' ' NH1' ' A' ' 51' ' ' ARG . . . -171.41 68.24 0.13 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 119.852 -1.166 . . . . 0.0 113.969 -176.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.536 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 10.6 pt-20 157.65 104.31 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.82 1.248 . . . . 0.0 109.278 177.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.516 ' OH ' ' HB3' ' A' ' 74' ' ' SER . 9.4 t80 -79.94 129.55 34.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.976 -176.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.565 HG11 ' HD1' ' A' ' 130' ' ' PHE . 75.7 t -100.05 -69.76 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -177.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.564 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . . . -137.21 -177.89 4.97 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -172.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.516 ' HB3' ' OH ' ' A' ' 71' ' ' TYR . 24.8 p -162.97 136.74 6.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.078 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -135.53 130.35 34.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.822 0.344 . . . . 0.0 110.196 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -108.33 136.16 48.43 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.159 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.621 ' HG3' HG13 ' A' ' 84' ' ' ILE . 9.3 ptm180 -153.66 176.71 11.78 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 178.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -117.04 151.95 35.68 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.765 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.633 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.7 p -127.22 95.06 2.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 171.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.2 t 50.81 63.71 2.12 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.053 -177.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.66 -19.68 18.8 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 121.148 -0.549 . . . . 0.0 114.395 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -97.27 133.49 41.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.514 0.657 . . . . 0.0 110.834 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.9 mp -90.45 115.18 29.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.776 0.322 . . . . 0.0 110.845 -173.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.642 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -92.06 135.0 28.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.187 0.517 . . . . 0.0 110.465 176.459 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -125.62 98.73 5.69 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.734 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.588 ' HG ' ' HB ' ' A' ' 11' ' ' VAL . 6.3 mp -88.04 133.48 33.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.566 -176.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.497 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . 39.9 m80 -112.25 113.98 26.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.721 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.99 109.69 20.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.762 0.315 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -107.7 147.23 31.02 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.622 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.612 ' NE2' ' HB3' ' A' ' 17' ' ' GLU . 9.7 t-160 -102.4 127.81 49.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 173.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.454 HG21 HD13 ' A' ' 16' ' ' ILE . 12.4 m -92.71 104.37 11.28 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-O 121.222 0.534 . . . . 0.0 110.225 174.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.661 ' HD2' ' O ' ' A' ' 67' ' ' THR . 59.0 Cg_endo -72.18 -8.89 23.63 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 123.09 2.527 . . . . 0.0 112.733 -179.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.415 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 20.5 t70 -157.62 145.24 18.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.902 0.382 . . . . 0.0 110.997 -178.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.462 ' CB ' HD12 ' A' ' 64' ' ' ILE . 38.6 p90 -151.11 144.94 25.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.233 174.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -111.69 124.16 51.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.547 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.32 -160.01 18.92 Favored Glycine 0 N--CA 1.453 -0.198 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.5 m -122.42 125.73 46.47 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.46 122.07 23.27 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.697 0.761 . . . . 0.0 110.727 -175.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 29.8 pt20 -140.86 166.84 23.68 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.869 -176.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -101.92 110.49 22.48 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.262 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.591 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 34.2 t-80 -83.92 -65.25 1.03 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.442 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -84.33 -36.4 22.58 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.487 178.773 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -75.12 175.04 8.6 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.427 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -95.52 -73.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.549 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -120.24 163.02 18.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.472 0.177 . . . . 0.0 111.194 -176.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.472 ' HB3' HD11 ' A' ' 23' ' ' LEU . 2.3 mm? -122.16 137.97 54.64 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.9 p -134.99 130.58 52.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.084 0.469 . . . . 0.0 110.249 172.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.457 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 15.8 p90 -99.43 121.06 40.6 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.465 0.65 . . . . 0.0 110.557 177.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 39.3 m -145.33 156.88 44.06 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.551 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.408 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 22.9 m -66.51 155.84 87.56 Favored Pre-proline 0 C--N 1.315 -0.893 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -177.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.583 ' O ' HD11 ' A' ' 127' ' ' LEU . 5.8 Cg_endo -49.92 -42.26 45.35 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.006 2.471 . . . . 0.0 112.903 -178.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -66.96 -33.09 74.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.798 0.332 . . . . 0.0 111.064 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.408 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 7.0 mm-40 -72.77 -40.76 65.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.703 176.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.82 -38.67 75.99 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.365 -173.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.649 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -71.66 -12.93 61.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.877 0.37 . . . . 0.0 110.868 -175.537 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -86.26 -8.7 57.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.151 0.5 . . . . 0.0 110.373 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.478 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 38.6 m-85 -89.01 165.97 24.25 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.805 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.478 ' HD2' ' HB3' ' A' ' 117' ' ' TYR . 72.3 Cg_endo -73.77 73.37 3.59 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.121 1.88 . . . . 0.0 111.803 176.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.615 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 77.9 mt -80.81 150.89 29.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.251 178.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.561 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -59.8 152.46 58.42 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 177.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.4 -11.74 24.25 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.052 2.502 . . . . 0.0 113.275 -177.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.477 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -95.49 -26.05 15.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.034 0.445 . . . . 0.0 109.905 176.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.561 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.0 OUTLIER -82.75 -26.32 32.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.206 -174.261 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.441 ' HB ' ' HD3' ' A' ' 125' ' ' PRO . 73.3 mt -62.15 -57.27 24.4 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.853 -177.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.441 ' HD3' ' HB ' ' A' ' 124' ' ' ILE . 29.5 Cg_endo -63.35 -21.88 71.68 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.28 1.987 . . . . 0.0 112.747 179.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 84.7 mt -77.14 -42.81 36.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.874 0.369 . . . . 0.0 110.142 177.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.649 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.2 tm? -70.33 -36.29 74.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.552 178.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -47.9 -45.66 30.93 Favored 'General case' 0 N--CA 1.458 -0.067 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.046 175.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.608 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -83.93 -14.73 50.23 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.565 ' HD1' HG11 ' A' ' 72' ' ' VAL . 57.8 t80 -75.46 -46.74 30.73 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.7 ptm -70.02 -34.82 73.77 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.872 174.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.608 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -60.01 -41.29 91.81 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 120.669 0.271 . . . . 0.0 111.022 172.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 129' ' ' ALA . 1.4 tp -67.31 -33.59 75.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.929 -177.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 37.1 mtp85 -87.06 -9.92 54.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.751 0.31 . . . . 0.0 111.316 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -96.19 -39.46 9.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.107 0.48 . . . . 0.0 110.345 175.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.451 178.217 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.2 mttm . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 120.83 0.348 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.1 mtp -102.28 137.03 41.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.094 175.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.754 ' HB ' HG23 ' A' ' 84' ' ' ILE . 58.4 mt -111.88 122.55 66.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.26 -178.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -99.44 121.1 40.66 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.626 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 97.2 t -124.92 120.52 58.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -178.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.421 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 1.6 m -98.93 134.05 39.24 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.404 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.96 131.76 56.8 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.034 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.567 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.62 120.93 41.41 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.107 0.48 . . . . 0.0 110.403 -177.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.469 HG23 ' CG2' ' A' ' 22' ' ' ILE . 5.2 mt -94.18 99.58 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 175.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.711 HG13 HD23 ' A' ' 23' ' ' LEU . 2.2 mm -87.59 110.39 20.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -176.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -104.88 119.59 39.36 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.668 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.476 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -142.2 138.96 31.86 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 175.843 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.44 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 18.3 t70 79.21 -22.05 0.3 Allowed 'General case' 0 N--CA 1.474 0.757 0 O-C-N 123.956 0.785 . . . . 0.0 110.712 -175.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.21 3.78 29.37 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 -165.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -109.51 161.3 15.47 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.419 -0.891 . . . . 0.0 109.609 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.469 ' CG2' HG23 ' A' ' 15' ' ' ILE . 13.0 mt -105.81 147.04 11.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.711 HD23 HG13 ' A' ' 16' ' ' ILE . 55.2 tp -87.39 116.99 25.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.335 -178.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 mp -111.52 134.96 52.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.953 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.75 121.2 43.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.289 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 37' ' ' TRP . 34.9 tt0 . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 121.284 0.564 . . . . 0.0 112.272 -176.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.121 0 CA-C-O 120.934 0.186 . . . . 0.0 112.805 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.613 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 5.9 mp -77.34 155.76 31.74 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 123.001 0.521 . . . . 0.0 110.748 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 62.2 m95 -114.76 145.42 42.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.244 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -133.42 156.85 46.95 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -82.71 122.35 28.05 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 175.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.87 146.38 32.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.229 -176.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.7 -137.09 4.32 Favored Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 -176.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.22 -152.33 20.94 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.603 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -114.03 151.77 31.95 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -176.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.7 t -98.25 118.72 45.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.123 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.33 143.63 45.23 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 175.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.84 -6.04 4.26 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.964 2.442 . . . . 0.0 114.006 -173.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -115.94 12.62 15.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.855 0.359 . . . . 0.0 111.435 -177.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -135.34 158.73 43.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.979 173.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.8 m -85.24 160.03 19.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.082 -177.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -57.22 -42.67 81.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.873 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.453 ' O ' HG23 ' A' ' 55' ' ' VAL . 53.0 mtt180 -69.92 -35.51 74.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.274 178.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -68.09 -43.05 79.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.845 -175.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.43 88.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.797 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.71 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 22.8 mt -59.42 -47.14 86.62 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.745 0.307 . . . . 0.0 110.671 176.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 51' ' ' ARG . 53.7 t -59.21 -44.48 92.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.177 -176.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.429 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 4.3 ppt_? -76.32 -42.22 45.85 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.311 -178.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.84 -44.14 97.44 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.251 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.71 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 54.3 mt -66.49 -34.69 78.49 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.909 178.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 59' ' ' ARG . 22.6 ttt85 -61.51 -34.41 75.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.122 176.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 21.4 mt-10 -87.85 -39.85 14.48 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.511 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.592 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 54.3 mm-40 -82.19 -51.43 7.96 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.652 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 50.8 mt -97.11 -21.56 17.28 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.75 -175.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . 81.51 28.1 44.94 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.036 -1.078 . . . . 0.0 110.935 176.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.471 HG12 ' HB2' ' A' ' 62' ' ' LEU . 33.3 pt -125.91 146.0 32.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.369 0.604 . . . . 0.0 111.289 -177.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.576 ' HB2' ' HB2' ' A' ' 95' ' ' HIS . 60.2 mt-10 -91.71 93.28 8.81 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 173.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.18 154.1 24.43 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.798 -173.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.498 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 79.7 m -113.92 103.74 11.47 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.533 176.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.404 HG13 ' HB3' ' A' ' 89' ' ' TRP . 48.8 t -80.66 126.41 39.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.182 -178.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -121.03 -87.86 0.98 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.341 -0.933 . . . . 0.0 113.144 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.63 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 6.7 pt-20 -94.69 137.54 33.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.585 0.707 . . . . 0.0 112.452 -173.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -79.81 131.31 35.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.942 177.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 67.7 t -93.45 -70.15 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.801 0.334 . . . . 0.0 111.442 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.93 169.06 25.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.99 0.424 . . . . 0.0 111.304 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.0 p -134.44 146.46 49.83 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.168 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -133.78 133.76 42.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.901 -179.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -101.91 141.04 35.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.195 0.521 . . . . 0.0 110.859 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -152.79 173.68 15.0 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 175.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -121.0 150.81 40.56 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 119.341 -0.944 . . . . 0.0 111.201 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.669 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.6 p -117.99 93.55 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.782 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 171.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.8 m 45.5 71.12 0.3 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.21 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.18 -23.3 8.3 Favored Glycine 0 CA--C 1.522 0.496 0 CA-C-N 116.11 -0.496 . . . . 0.0 114.293 177.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.502 ' HB2' HG13 ' A' ' 79' ' ' VAL . 84.5 mtt180 -93.9 134.31 36.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.566 0.683 . . . . 0.0 110.016 -179.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.0 mp -93.35 114.65 30.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.841 0.353 . . . . 0.0 110.574 -173.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.754 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -93.19 137.72 21.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.385 0.612 . . . . 0.0 111.053 179.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -119.39 99.85 6.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.182 -0.917 . . . . 0.0 108.956 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.626 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 5.8 mp -89.36 129.34 35.91 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.327 -178.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -112.91 112.97 24.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.818 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.442 ' HB2' HD13 ' A' ' 126' ' ' LEU . . . -90.05 110.23 21.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.968 0.413 . . . . 0.0 110.332 177.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.404 ' HB3' HG13 ' A' ' 68' ' ' VAL . 86.9 m95 -105.34 136.84 44.13 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.149 178.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.63 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 19.9 t-160 -85.17 114.22 22.12 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.5 t -95.62 102.5 10.26 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 87.3 Cg_endo -85.73 -10.91 7.08 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.784 2.323 . . . . 0.0 112.869 -175.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -155.87 144.49 20.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.361 . . . . 0.0 110.914 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -146.75 149.35 33.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.101 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.576 ' HB2' ' HB2' ' A' ' 65' ' ' GLU . 92.4 m-70 -107.04 128.64 54.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.449 177.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.09 -162.03 12.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.684 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.7 m -130.41 142.34 50.51 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.528 HD13 ' H ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -78.91 132.78 36.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.62 0.724 . . . . 0.0 111.504 -173.468 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.652 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 25.2 pt20 -130.11 158.71 38.91 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.592 176.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -106.24 99.58 9.16 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.47 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.437 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 51.8 t-80 -77.71 -70.49 0.47 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.041 178.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.592 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 13.8 mt-10 -85.97 1.77 48.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.318 0.58 . . . . 0.0 110.612 177.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -115.79 174.21 6.14 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.706 -175.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -98.11 -54.35 3.1 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.862 -178.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.63 169.56 18.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.488 0.185 . . . . 0.0 111.429 -176.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -120.72 138.82 53.78 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.72 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.7 p -134.03 145.12 33.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.873 0.368 . . . . 0.0 110.623 174.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 22.7 m-90 -106.63 117.93 35.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.001 175.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.561 ' HB2' ' HB2' ' A' ' 113' ' ' GLU . 18.3 p -136.73 155.69 49.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.722 176.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.508 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 13.7 m -71.8 162.16 74.76 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.236 -176.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.508 ' HD2' ' HB3' ' A' ' 110' ' ' SER . 12.7 Cg_endo -56.38 -19.34 28.17 Favored 'Trans proline' 0 N--CA 1.48 0.72 0 C-N-CA 123.182 2.588 . . . . 0.0 113.152 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -89.13 -37.83 14.78 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.831 177.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.561 ' HB2' ' HB2' ' A' ' 109' ' ' CYS . 8.2 mm-40 -70.2 -38.78 75.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.022 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.26 -38.62 71.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.919 -175.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.631 HD23 HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -77.3 -11.64 59.86 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.112 -176.751 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -84.9 -11.42 55.63 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.051 0.453 . . . . 0.0 110.638 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.45 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 27.0 m-85 -86.9 155.71 55.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.568 178.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.613 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 56.6 Cg_endo -70.35 80.28 1.06 Allowed 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.059 1.84 . . . . 0.0 111.685 177.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 65.3 mt -85.59 152.52 23.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.192 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.57 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -66.14 156.74 83.68 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.569 178.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.41 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 13.6 Cg_endo -57.07 -16.37 20.92 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.227 2.618 . . . . 0.0 113.762 -177.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.508 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -95.59 -23.91 16.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.857 0.361 . . . . 0.0 111.02 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.57 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.6 m-20 -81.8 -26.04 34.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.795 -175.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.698 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 74.3 mt -63.85 -60.11 9.82 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.807 -176.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.488 ' HA ' ' OE1' ' A' ' 128' ' ' GLU . 10.9 Cg_endo -54.09 -33.94 75.93 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 122.807 2.338 . . . . 0.0 112.953 -179.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' A' ' 88' ' ' ALA . 89.1 mt -72.02 -40.65 68.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.808 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.631 HD12 HD23 ' A' ' 115' ' ' LEU . 2.6 tm? -72.88 -37.24 67.39 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -178.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.698 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 42.5 mt-10 -51.19 -43.4 61.33 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.885 177.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.405 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -78.61 -25.15 45.1 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.641 -178.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.481 ' O ' ' HG3' ' A' ' 134' ' ' ARG . 72.7 t80 -70.94 -45.48 64.1 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.8 ptm -69.18 -34.33 74.77 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.002 175.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -56.93 -44.83 82.85 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.988 0.423 . . . . 0.0 110.931 173.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.43 -35.06 79.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.248 -177.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 130' ' ' PHE . 49.6 mtp85 -79.84 -23.13 42.19 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.9 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -84.23 -37.52 21.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.42 -177.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.543 -176.826 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.446 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 67.5 mtt -112.96 141.64 46.57 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.446 0.641 . . . . 0.0 111.3 -176.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.803 ' HB ' HG23 ' A' ' 84' ' ' ILE . 37.4 mt -113.1 124.42 69.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 114.782 -1.099 . . . . 0.0 108.496 178.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -98.24 124.83 43.05 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -175.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 84.1 t -131.82 136.93 56.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.491 HG12 ' HB2' ' A' ' 87' ' ' HIS . 2.8 m -110.05 138.75 36.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-O 120.965 0.412 . . . . 0.0 110.481 177.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.85 130.98 56.05 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.486 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.557 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.64 114.78 29.3 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.051 0.453 . . . . 0.0 110.071 -178.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.564 HG23 HG23 ' A' ' 22' ' ' ILE . 7.3 mt -90.94 99.63 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.609 HG13 HD23 ' A' ' 23' ' ' LEU . 2.1 mm -81.12 102.05 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 -179.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 37.2 tt0 -110.93 119.18 38.22 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.23 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.532 HH12 ' HA ' ' A' ' 93' ' ' ASP . 5.2 tpt180 -137.16 125.28 22.98 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.503 177.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 72.17 7.63 5.77 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.79 0.681 . . . . 0.0 111.841 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.63 10.6 46.66 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.168 -1.015 . . . . 0.0 111.522 -176.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 7.9 mttt -121.52 144.76 48.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 110.467 179.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.564 HG23 HG23 ' A' ' 15' ' ' ILE . 28.3 mt -104.82 150.16 7.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.317 -177.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.609 HD23 HG13 ' A' ' 16' ' ' ILE . 35.4 tp -89.87 122.45 32.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.236 0.541 . . . . 0.0 111.231 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.433 HD13 ' SG ' ' A' ' 109' ' ' CYS . 6.1 mp -117.18 138.52 51.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.892 177.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.04 121.35 38.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.023 0.44 . . . . 0.0 111.489 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.116 -178.132 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.436 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.585 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 6.7 mp -78.93 151.72 31.54 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.136 0.493 . . . . 0.0 111.197 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.446 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 39.3 m95 -110.72 147.13 35.03 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.221 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -136.3 163.6 30.05 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.553 0.216 . . . . 0.0 110.464 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.565 ' HZ ' HD23 ' A' ' 127' ' ' LEU . 96.5 m-85 -80.77 118.39 22.26 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 174.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.06 144.09 30.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.225 -177.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.05 -137.75 4.72 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.531 ' HA3' ' HG3' ' A' ' 57' ' ' GLU . . . 172.86 169.7 35.73 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.15 -1.024 . . . . 0.0 113.143 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -78.02 146.28 35.45 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.414 -0.393 . . . . 0.0 110.326 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.6 t -98.85 125.44 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.154 -175.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -88.79 145.72 35.47 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.71 1.16 2.39 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.548 2.165 . . . . 0.0 112.846 -176.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -106.56 -3.12 21.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.956 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.659 ' HB2' HE21 ' A' ' 52' ' ' GLN . 13.0 pt-20 -131.03 170.87 13.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.117 0.484 . . . . 0.0 111.569 -178.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.2 t -93.12 155.67 17.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.662 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -60.31 -49.35 77.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.857 0.361 . . . . 0.0 110.712 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 55' ' ' VAL . 73.5 mtt180 -62.36 -38.68 90.47 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.176 0.513 . . . . 0.0 110.199 176.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.659 HE21 ' HB2' ' A' ' 48' ' ' GLU . 27.2 tt0 -67.95 -40.05 83.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.381 -174.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.93 94.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.332 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.681 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 28.6 mt -60.23 -47.06 87.55 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.899 0.381 . . . . 0.0 110.773 176.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 51' ' ' ARG . 69.6 t -60.1 -46.93 93.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.335 -177.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -70.92 -39.85 72.46 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.203 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.531 ' HG3' ' HA3' ' A' ' 42' ' ' GLY . 5.1 mm-40 -63.55 -44.58 93.74 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 177.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 39.7 mt -66.31 -31.81 72.84 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.46 -178.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -62.82 -31.89 72.97 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.846 174.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -86.69 -39.85 15.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.225 -178.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.654 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 70.7 mm-40 -92.12 -43.49 9.34 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -176.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.684 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 65.7 mt -106.06 4.57 29.4 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.647 -173.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.28 25.5 26.27 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 114.765 0.666 . . . . 0.0 114.765 -178.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.4 pt -127.35 145.38 34.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 117.98 0.89 . . . . 0.0 111.988 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 35.4 mt-10 -93.67 95.07 8.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.123 -0.944 . . . . 0.0 108.626 174.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.22 156.97 22.89 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.221 0.534 . . . . 0.0 111.682 -174.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.49 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 55.2 m -114.46 104.02 11.62 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.172 175.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.454 ' HB ' ' HB3' ' A' ' 51' ' ' ARG . 41.4 t -82.95 132.44 31.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.04 -176.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -137.03 -76.8 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.359 -0.924 . . . . 0.0 113.459 -175.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.637 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 15.7 pt-20 -91.06 131.6 36.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.443 0.64 . . . . 0.0 111.835 -172.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.627 ' HE1' ' HB3' ' A' ' 87' ' ' HIS . 11.7 t80 -83.16 134.25 34.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.795 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.479 HG13 HD22 ' A' ' 133' ' ' LEU . 97.0 t -95.17 -69.84 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.708 0.29 . . . . 0.0 111.253 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -158.43 175.26 13.93 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.46 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.8 154.08 51.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.473 176.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -143.8 144.58 31.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.73 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.504 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 75.0 mt-30 -113.16 135.15 54.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.138 0.494 . . . . 0.0 111.08 177.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.715 ' HD3' ' HB2' ' A' ' 122' ' ' ALA . 23.3 ptt180 -138.29 158.36 44.44 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 8.3 pt-20 -104.04 138.04 41.14 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 119.53 -0.868 . . . . 0.0 111.402 -176.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.705 ' HB ' HD11 ' A' ' 84' ' ' ILE . 3.3 p -119.7 95.58 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.641 174.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.9 m 47.41 68.41 0.65 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.864 -178.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 81.59 -14.71 28.69 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 121.009 -0.615 . . . . 0.0 114.553 178.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.552 ' HB2' HG13 ' A' ' 79' ' ' VAL . 89.0 mtt180 -102.28 148.83 24.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.635 0.717 . . . . 0.0 110.075 -178.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' A' ' 8' ' ' MET . 2.0 mp -104.56 115.75 47.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 120.781 0.324 . . . . 0.0 110.388 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.803 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -90.55 138.55 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.061 0.458 . . . . 0.0 110.29 177.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -117.61 100.75 7.84 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.62 -177.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 8.1 mp -88.8 129.96 35.46 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.812 0.339 . . . . 0.0 110.692 -177.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.627 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . 84.3 m-70 -111.46 112.91 24.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.786 178.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.79 117.25 29.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.754 0.311 . . . . 0.0 110.612 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -110.56 141.29 43.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.247 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.637 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 31.3 t-80 -85.99 123.04 30.87 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.9 t -90.02 106.55 14.92 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.812 0.339 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 71.7 Cg_endo -76.75 -27.55 7.19 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.924 2.416 . . . . 0.0 112.578 -177.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.532 ' HA ' HH12 ' A' ' 18' ' ' ARG . 5.1 t70 -159.95 154.62 24.2 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.667 0.27 . . . . 0.0 111.125 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -147.13 142.91 27.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.443 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 41.4 t60 -98.74 120.44 39.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.842 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.13 -159.71 18.74 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.506 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 32.1 m -121.86 126.96 49.91 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.68 HD23 ' H ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -77.6 120.85 23.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.274 0.559 . . . . 0.0 111.033 -172.38 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.684 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 3.4 pt20 -128.2 170.85 12.52 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.235 -177.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.579 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -114.08 117.53 31.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.862 0.363 . . . . 0.0 111.338 178.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.654 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 29.9 t-80 -90.49 -77.47 0.4 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.888 -179.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.64 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 18.4 mm-40 -83.87 -21.11 32.09 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.433 0.635 . . . . 0.0 110.635 -179.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.421 ' O ' ' HB1' ' A' ' 100' ' ' ALA . 66.9 m80 -89.67 142.01 28.08 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.263 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -77.43 -56.89 4.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.885 0.374 . . . . 0.0 111.663 -171.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -118.33 154.75 31.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.987 -176.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.579 HD13 ' HB2' ' A' ' 100' ' ' ALA . 1.6 tp -131.55 126.03 33.82 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.77 145.07 35.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.97 0.414 . . . . 0.0 110.637 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.475 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 38.3 p90 -113.3 117.03 30.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.425 0.631 . . . . 0.0 109.452 173.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.433 ' SG ' HD13 ' A' ' 24' ' ' LEU . 24.6 p -137.46 156.86 47.66 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.318 -176.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.529 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 5.1 m -64.64 155.18 82.74 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -177.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.468 ' O ' HD11 ' A' ' 127' ' ' LEU . 3.1 Cg_endo -46.56 -50.63 10.14 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.244 2.63 . . . . 0.0 113.397 -177.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.14 -24.84 62.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.756 0.312 . . . . 0.0 111.372 -176.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.529 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 25.0 mm-40 -73.79 -37.3 65.0 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.77 -34.95 68.1 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.862 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.692 ' HG ' HD12 ' A' ' 127' ' ' LEU . 14.1 mt -76.47 -11.65 59.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.546 -178.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -85.97 -4.94 59.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.275 0.559 . . . . 0.0 109.977 176.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -94.08 160.12 32.85 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.287 176.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.585 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 59.6 Cg_endo -73.14 78.1 2.29 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.827 1.685 . . . . 0.0 111.838 175.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.501 HD12 HD23 ' A' ' 115' ' ' LEU . 71.6 mt -82.74 153.6 25.22 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.307 177.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.632 ' HB1' ' HD2' ' A' ' 121' ' ' PRO . . . -63.37 160.65 39.89 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.632 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 10.3 Cg_endo -51.8 -37.28 65.28 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.554 2.836 . . . . 0.0 114.19 -173.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.715 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -92.61 -13.88 28.98 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.87 -177.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.56 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.0 OUTLIER -78.93 -27.11 43.66 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.169 -175.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.65 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 41.5 mm -62.28 -61.97 6.65 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.989 176.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.569 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 10.9 Cg_endo -55.64 -31.9 81.32 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 122.936 2.424 . . . . 0.0 113.348 178.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 70.7 mt -67.59 -40.01 84.8 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-O 121.066 0.46 . . . . 0.0 110.136 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.692 HD12 ' HG ' ' A' ' 115' ' ' LEU . 2.0 tm? -73.72 -37.39 65.15 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.457 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.65 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 36.4 mt-10 -57.39 -40.43 78.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.704 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.39 -26.0 51.38 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.395 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -69.91 -45.49 67.44 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.1 ptm -68.93 -33.4 73.66 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.731 175.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.33 -43.22 88.15 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-O 120.901 0.381 . . . . 0.0 110.952 171.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.479 HD22 HG13 ' A' ' 72' ' ' VAL . 2.7 mp -64.2 -42.49 96.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.685 -179.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -73.13 -21.88 60.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.804 -178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -92.16 -39.71 11.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.643 0.259 . . . . 0.0 111.599 -177.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.157 -178.485 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.8 mtm -100.4 139.31 36.27 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.33 0.586 . . . . 0.0 110.337 173.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.804 ' HB ' HG23 ' A' ' 84' ' ' ILE . 35.0 mt -104.78 114.54 44.66 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 176.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -88.75 126.7 35.45 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -174.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.695 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 87.2 t -130.37 117.35 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.04 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.548 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 3.4 m -97.99 132.72 42.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.498 -178.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.48 126.76 53.84 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -177.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.652 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.04 113.59 26.96 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.258 0.551 . . . . 0.0 109.732 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.503 HG23 HG23 ' A' ' 22' ' ' ILE . 7.5 mt -86.4 102.22 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.742 HG13 HD23 ' A' ' 23' ' ' LEU . 2.3 mm -81.37 100.8 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -177.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.699 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . 4.4 tt0 -112.16 108.72 18.08 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 18' ' ' ARG . 4.3 tpt180 -130.72 130.48 43.87 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.067 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 64.0 17.27 10.49 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.629 0.581 . . . . 0.0 110.974 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.26 4.25 66.64 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.702 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 6.3 mmtt -112.4 143.69 43.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.979 0.389 . . . . 0.0 110.48 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.566 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 43.9 mt -104.46 146.33 11.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.863 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.742 HD23 HG13 ' A' ' 16' ' ' ILE . 63.1 tp -89.8 121.62 32.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.227 0.537 . . . . 0.0 111.627 -178.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.505 HD23 HD21 ' A' ' 119' ' ' LEU . 3.7 mp -112.3 138.78 48.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.109 174.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.06 121.32 31.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.029 0.443 . . . . 0.0 111.574 -176.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.465 -177.069 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.507 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.5 mt -80.09 154.13 28.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.906 0.384 . . . . 0.0 110.758 177.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.641 ' HD1' ' HG2' ' A' ' 118' ' ' PRO . 34.2 m95 -118.95 149.84 40.93 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -145.21 165.7 27.59 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 174.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.417 ' HE1' HG21 ' A' ' 22' ' ' ILE . 65.5 m-85 -73.04 143.48 47.48 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 177.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.01 153.25 42.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.901 0.382 . . . . 0.0 110.539 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 155.49 -134.0 3.99 Favored Glycine 0 N--CA 1.44 -1.037 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -175.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.511 ' HA3' ' OE2' ' A' ' 57' ' ' GLU . . . 163.71 -154.8 25.87 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 119.745 -1.216 . . . . 0.0 113.445 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.511 ' HE3' HG23 ' A' ' 9' ' ' ILE . 84.4 tttt -105.9 148.69 27.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.829 0.347 . . . . 0.0 110.606 -172.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.2 t -105.95 110.59 31.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -93.53 152.85 41.23 Favored Pre-proline 0 C--N 1.315 -0.923 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -67.94 19.73 0.13 Allowed 'Trans proline' 0 N--CA 1.478 0.562 0 C-N-CA 123.28 2.654 . . . . 0.0 114.724 -167.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -119.25 -3.94 10.51 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.925 0.393 . . . . 0.0 110.804 175.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -126.79 165.14 19.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.226 0.536 . . . . 0.0 111.742 -177.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.444 ' HB3' ' HB3' ' A' ' 52' ' ' GLN . 31.5 t -88.06 154.93 20.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.534 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -60.32 -47.59 85.36 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.816 0.341 . . . . 0.0 110.865 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.548 ' O ' HG23 ' A' ' 55' ' ' VAL . 86.1 mtm180 -66.46 -41.61 88.81 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 120.998 0.427 . . . . 0.0 109.884 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.444 ' HB3' ' HB3' ' A' ' 49' ' ' SER . 0.4 OUTLIER -69.2 -32.23 71.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.217 -175.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -59.8 -48.64 80.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.062 176.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.692 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.8 mt -62.24 -45.99 90.84 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.017 0.437 . . . . 0.0 110.392 177.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 51' ' ' ARG . 76.3 t -56.97 -46.57 83.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.928 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.611 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.8 ppt_? -76.03 -40.41 53.54 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.49 -177.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.511 ' OE2' ' HA3' ' A' ' 42' ' ' GLY . 7.3 mm-40 -59.48 -45.77 90.7 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.633 0.254 . . . . 0.0 111.353 178.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 23.6 mt -68.64 -33.89 74.78 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 121.194 0.521 . . . . 0.0 109.779 178.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 3.7 ttm180 -60.19 -35.8 76.21 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.037 175.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.611 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 24.9 mt-10 -87.62 -40.02 14.56 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.895 -177.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.632 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 3.1 mm-40 -88.16 -50.39 6.41 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.684 -179.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.707 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 55.0 mt -96.94 5.05 51.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.806 -170.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.88 27.79 30.05 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.205 -0.522 . . . . 0.0 114.367 -176.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.41 HG12 ' HB2' ' A' ' 62' ' ' LEU . 44.2 pt -129.3 135.78 60.98 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 CA-C-N 117.749 0.774 . . . . 0.0 111.561 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.566 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 27.1 mt-10 -91.6 94.85 9.61 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 176.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.498 ' O ' HG22 ' A' ' 55' ' ' VAL . . . -84.66 161.8 19.96 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.134 -172.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 93' ' ' ASP . 14.3 t -116.13 143.89 44.89 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 172.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.1 t -108.87 119.68 58.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -163.63 56.71 0.28 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 119.419 -1.372 . . . . 0.0 114.318 -174.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.552 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 12.2 pt-20 161.63 106.84 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.092 0.957 . . . . 0.0 109.621 177.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.503 ' HA ' ' CD1' ' A' ' 89' ' ' TRP . 80.9 t80 -80.4 131.14 35.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.803 -175.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 85.0 t -96.99 -71.19 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.525 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -161.86 -178.5 6.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 0.0 111.576 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.1 p -140.49 154.42 46.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.024 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.529 ' CD2' ' HA ' ' A' ' 122' ' ' ALA . 80.2 t60 -144.42 145.79 32.11 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 175.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.46 HE21 HG21 ' A' ' 83' ' ' ILE . 44.8 mt-30 -111.59 141.02 45.72 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.325 0.583 . . . . 0.0 111.559 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.614 ' HD3' ' HB2' ' A' ' 122' ' ' ALA . 33.3 ptt180 -146.5 158.77 43.95 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 106.5 -1.666 . . . . 0.0 106.5 176.04 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -112.89 151.04 30.95 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 119.342 -0.943 . . . . 0.0 111.082 -177.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.602 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.5 p -120.36 93.11 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 170.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.7 m 39.22 76.35 0.06 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.919 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.01 -24.34 9.24 Favored Glycine 0 CA--C 1.517 0.198 0 CA-C-N 115.811 -0.631 . . . . 0.0 114.242 175.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.492 ' HB2' HG13 ' A' ' 79' ' ' VAL . 73.7 mtt85 -93.62 133.61 36.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.455 0.628 . . . . 0.0 110.137 178.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.46 HG21 HE21 ' A' ' 76' ' ' GLN . 2.1 mp -93.94 113.69 29.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -176.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.804 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -88.28 129.27 39.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.196 0.522 . . . . 0.0 109.622 179.056 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -111.0 105.3 14.02 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.542 -173.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.695 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.3 mp -93.01 123.07 35.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.102 0.477 . . . . 0.0 111.448 -177.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -106.29 115.3 29.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.995 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -97.73 116.86 30.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.049 0.452 . . . . 0.0 111.064 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.503 ' CD1' ' HA ' ' A' ' 71' ' ' TYR . 1.7 m-90 -117.62 152.13 35.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.374 175.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.699 ' NE2' ' HB3' ' A' ' 17' ' ' GLU . 10.2 t-160 -99.69 127.54 45.81 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 173.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.1 m -90.8 107.83 23.36 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-O 121.149 0.499 . . . . 0.0 110.136 176.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.74 -23.43 19.3 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.581 2.188 . . . . 0.0 112.163 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.414 ' O ' HG22 ' A' ' 67' ' ' THR . 19.7 t70 -150.92 143.99 24.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 -177.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -137.25 167.85 20.77 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.654 177.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.566 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 10.5 t60 -122.75 119.87 31.93 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -177.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.75 -156.8 15.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.24 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 87.4 m -124.32 132.2 53.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.519 HD23 ' H ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -73.99 120.37 19.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.28 0.562 . . . . 0.0 110.936 -174.364 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.707 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 11.0 pt20 -131.18 171.07 13.72 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.565 -178.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.754 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -113.75 109.35 18.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.047 0.451 . . . . 0.0 111.415 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.632 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 36.8 t60 -86.46 -67.52 0.81 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.774 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.47 ' HB2' ' CD ' ' A' ' 61' ' ' GLU . 16.7 mt-10 -93.19 -36.99 12.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.356 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.55 ' O ' ' HB1' ' A' ' 100' ' ' ALA . 67.3 m80 -69.02 144.96 53.92 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 173.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -86.0 -68.27 0.75 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.771 -0.371 . . . . 0.0 111.637 -171.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.462 ' O ' HD12 ' A' ' 106' ' ' LEU . . . -110.67 149.2 30.79 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.754 HD13 ' HB2' ' A' ' 100' ' ' ALA . 6.1 mp -129.64 134.42 47.67 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 120.912 0.387 . . . . 0.0 110.249 -178.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.1 m -127.59 143.66 39.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.596 178.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 7.6 p90 -110.97 117.0 32.16 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.501 173.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 113' ' ' GLU . 29.0 p -142.4 156.12 45.18 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.982 -178.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 m -61.17 156.8 47.53 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.464 ' O ' HD11 ' A' ' 127' ' ' LEU . 1.4 Cg_endo -46.6 -46.37 17.83 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.815 2.343 . . . . 0.0 112.806 177.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.53 -33.03 74.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.48 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.447 ' HA ' ' OE1' ' A' ' 116' ' ' GLN . 19.1 mm-40 -72.66 -35.94 67.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.286 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.07 -38.71 76.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.262 -175.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.725 HD11 HG23 ' A' ' 124' ' ' ILE . 0.2 OUTLIER -72.82 -11.12 60.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.554 0.216 . . . . 0.0 111.324 -175.781 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.447 ' OE1' ' HA ' ' A' ' 113' ' ' GLU . 50.5 mt-30 -82.02 -10.18 59.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.864 0.364 . . . . 0.0 110.758 176.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -93.52 160.44 32.98 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.866 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.641 ' HG2' ' HD1' ' A' ' 37' ' ' TRP . 68.0 Cg_endo -72.35 72.07 2.95 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.201 1.934 . . . . 0.0 111.473 178.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.632 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 76.8 mt -79.87 151.54 30.13 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 176.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.539 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -61.34 155.06 59.86 Favored Pre-proline 0 C--N 1.327 -0.409 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.746 178.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.5 -4.65 4.54 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.082 2.522 . . . . 0.0 112.891 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.614 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -99.25 -31.44 11.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.775 0.321 . . . . 0.0 110.44 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.539 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.6 m-20 -79.61 -25.09 41.57 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.676 -175.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.725 HG23 HD11 ' A' ' 115' ' ' LEU . 85.4 mt -61.92 -58.67 16.53 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.17 178.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.482 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 11.4 Cg_endo -57.71 -26.42 73.04 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 122.541 2.161 . . . . 0.0 112.874 176.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 97.3 mt -73.82 -45.59 50.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.099 0.476 . . . . 0.0 109.932 179.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.563 HD12 HD23 ' A' ' 115' ' ' LEU . 3.1 tm? -69.56 -38.16 77.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.75 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -49.6 -45.92 48.56 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.892 175.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.541 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -84.27 -14.28 50.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.65 -178.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -76.43 -46.94 24.87 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.1 ptm -70.15 -29.2 66.05 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.588 175.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -64.38 -40.17 95.29 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 120.677 0.275 . . . . 0.0 110.834 171.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.56 -39.36 84.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.553 -177.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.439 ' HD2' ' OE2' ' A' ' 17' ' ' GLU . 19.2 mtp180 -70.52 -24.32 62.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.406 178.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.12 -35.3 15.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.78 -177.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.397 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -177.725 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 120.954 0.407 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.403 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 52.2 mtt -95.29 134.25 38.27 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.838 176.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.595 ' HB ' HG23 ' A' ' 84' ' ' ILE . 19.7 mt -104.97 110.31 30.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 177.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -95.27 125.19 39.73 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 120.259 -0.576 . . . . 0.0 109.525 -173.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 98.8 t -127.86 125.66 65.34 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.421 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 2.7 m -98.54 130.25 47.65 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.4 125.21 52.16 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 -176.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.545 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -100.85 113.13 25.79 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.352 -177.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.52 HG23 HG23 ' A' ' 22' ' ' ILE . 6.3 mt -91.45 100.04 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.238 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.813 HG13 HD23 ' A' ' 23' ' ' LEU . 2.6 mm -84.19 101.36 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.6 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . 5.2 tm-20 -119.52 120.91 38.14 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -176.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -148.36 137.51 21.88 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.383 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 66.95 17.46 10.52 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.415 0.447 . . . . 0.0 111.221 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.4 10.98 72.88 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.569 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.539 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -119.18 149.55 41.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 117.06 0.43 . . . . 0.0 110.358 176.526 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.52 HG23 HG23 ' A' ' 15' ' ' ILE . 41.0 mt -107.51 139.77 28.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.108 177.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.813 HD23 HG13 ' A' ' 16' ' ' ILE . 41.3 tp -77.24 114.98 16.64 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.276 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.626 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 22.9 mt -109.54 136.24 49.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.9 173.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.476 ' HB1' ' CB ' ' A' ' 103' ' ' HIS . . . -118.19 120.37 37.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.994 -177.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.733 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.287 0 CA-C-O 120.779 0.099 . . . . 0.0 113.194 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.492 ' HA ' ' HG2' ' A' ' 118' ' ' PRO . 17.8 mt -77.32 147.23 36.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.709 0.29 . . . . 0.0 111.183 -177.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.626 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 39.4 m95 -116.43 153.25 32.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -153.11 175.73 12.69 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.45 ' CD1' HG12 ' A' ' 15' ' ' ILE . 89.7 m-85 -83.38 150.01 26.35 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.52 161.92 27.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.92 -134.48 4.73 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.56 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.553 ' HA3' ' OE2' ' A' ' 57' ' ' GLU . . . 163.25 -179.55 38.35 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.21 -0.995 . . . . 0.0 113.121 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -80.27 148.69 30.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.936 0.398 . . . . 0.0 110.527 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.4 t -102.0 124.99 56.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.673 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -82.48 147.87 57.29 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 175.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.29 -5.29 5.02 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 122.755 2.303 . . . . 0.0 113.28 -177.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -106.87 5.23 28.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.616 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -135.36 155.63 50.27 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 177.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.6 t -90.31 166.85 13.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.773 0.321 . . . . 0.0 110.655 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -60.45 -43.24 97.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.34 -176.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -64.66 -42.75 95.19 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.391 0.615 . . . . 0.0 109.783 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -65.31 -41.42 94.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.646 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.15 -45.84 91.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.674 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.702 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 37.5 mt -60.63 -47.13 87.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.889 0.376 . . . . 0.0 110.717 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 65.2 t -59.11 -48.64 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.226 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.558 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 5.6 ppt_? -70.32 -41.76 72.85 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.364 -177.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.553 ' OE2' ' HA3' ' A' ' 42' ' ' GLY . 5.1 mm-40 -60.4 -47.27 86.82 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 31.5 mt -66.96 -33.33 75.35 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.081 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -61.2 -35.74 78.01 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.204 175.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 23.9 mt-10 -86.88 -36.71 18.26 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.275 -177.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.569 ' HG2' ' HG2' ' A' ' 102' ' ' GLU . 4.2 mt-10 -86.24 -53.99 4.71 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.644 179.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.706 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 50.5 mt -99.16 2.92 46.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.187 -168.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 50.39 30.15 18.2 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 114.403 0.521 . . . . 0.0 114.403 -174.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.601 HG12 ' HB2' ' A' ' 62' ' ' LEU . 42.8 pt -121.27 142.73 36.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 117.793 0.797 . . . . 0.0 111.449 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -96.41 98.28 10.13 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.358 174.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.658 ' HB1' ' HH2' ' A' ' 89' ' ' TRP . . . -88.33 156.47 19.15 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.191 0.52 . . . . 0.0 112.04 -173.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.8 m -112.79 113.77 26.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.305 176.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.9 t -89.32 133.05 32.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.404 0.145 . . . . 0.0 110.848 -176.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . 175.16 62.06 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.707 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 70' ' ' GLU . 11.2 pt-20 155.09 99.24 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.519 1.127 . . . . 0.0 109.766 -178.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.506 ' CD1' ' HB2' ' A' ' 89' ' ' TRP . 46.8 m-85 -95.95 146.11 24.87 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.908 -0.495 . . . . 0.0 111.0 -178.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.439 HG13 HD12 ' A' ' 133' ' ' LEU . 61.8 t -93.15 -69.65 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.888 -175.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -155.48 172.7 17.8 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.343 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.1 m -130.91 150.92 51.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.387 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -145.1 148.75 33.99 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -110.83 140.69 45.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.041 0.448 . . . . 0.0 111.285 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.712 HH11 ' HB3' ' A' ' 122' ' ' ALA . 27.9 ptt180 -144.51 167.31 22.8 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 174.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -120.59 149.74 41.98 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 119.118 -1.033 . . . . 0.0 111.952 -179.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.667 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.6 p -121.99 95.96 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.177 -0.92 . . . . 0.0 108.899 173.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.5 p 43.97 71.87 0.22 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.156 -176.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.38 -22.64 8.34 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 120.97 -0.633 . . . . 0.0 114.388 176.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.48 ' HB2' HG13 ' A' ' 79' ' ' VAL . 72.1 mtt85 -93.95 137.86 32.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 117.523 0.662 . . . . 0.0 110.225 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.405 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.0 mp -95.35 114.91 33.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.14 0.495 . . . . 0.0 110.494 -176.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.667 HD11 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -89.48 128.4 41.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.352 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -108.86 106.56 16.6 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.713 -177.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.55 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.5 mp -99.87 128.46 45.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.654 0.264 . . . . 0.0 110.698 -179.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -119.64 116.92 26.98 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 175.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.58 133.58 34.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.924 0.392 . . . . 0.0 111.067 -178.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.658 ' HH2' ' HB1' ' A' ' 66' ' ' ALA . 6.9 t90 -129.66 135.8 48.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.541 -178.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.6 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 35.8 t-80 -92.83 132.41 37.01 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.648 HG12 ' HA ' ' A' ' 16' ' ' ILE . 7.4 p -89.14 110.91 41.75 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-O 121.486 0.66 . . . . 0.0 111.46 -175.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 56.3 Cg_endo -73.95 -28.47 11.15 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.596 2.197 . . . . 0.0 111.926 177.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -158.19 142.23 15.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.734 -178.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 38.5 p90 -146.54 141.18 26.75 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.815 176.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -110.09 119.69 40.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.541 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 131.19 -167.08 22.57 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.269 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.7 m -119.69 122.31 41.21 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.575 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -76.41 124.12 27.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.695 0.76 . . . . 0.0 111.299 -172.165 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.706 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 12.3 pt20 -132.0 169.61 16.09 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.367 -177.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' A' ' 103' ' ' HIS . . . -111.24 119.61 39.51 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.879 0.371 . . . . 0.0 111.086 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -110.19 -56.85 2.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.511 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.569 ' HG2' ' HG2' ' A' ' 61' ' ' GLU . 47.1 mm-40 -83.16 -45.63 13.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.676 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.476 ' CB ' ' HB1' ' A' ' 25' ' ' ALA . 75.2 m80 -80.9 163.42 23.38 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 171.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -87.02 -65.57 1.0 Allowed 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -171.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.68 164.76 20.57 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 122.323 -0.235 . . . . 0.0 111.266 -175.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.504 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.8 mm? -119.52 139.78 51.57 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.0 p -132.23 140.61 47.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.669 0.271 . . . . 0.0 110.658 171.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -99.92 111.04 23.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.877 0.37 . . . . 0.0 110.639 176.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 12.8 p -129.22 148.15 51.13 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.382 177.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.563 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 2.7 m -60.7 160.44 19.54 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.517 -179.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.632 ' O ' HD11 ' A' ' 127' ' ' LEU . 5.1 Cg_endo -47.97 -54.49 5.13 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.866 2.377 . . . . 0.0 112.815 177.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.55 -27.19 65.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.723 0.297 . . . . 0.0 111.373 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.563 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 70.2 mm-40 -73.21 -35.31 66.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.19 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.61 -38.68 85.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.772 -177.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.622 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -73.33 -14.03 61.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.105 0.478 . . . . 0.0 110.572 -177.332 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -83.52 -11.79 57.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.199 0.523 . . . . 0.0 110.119 175.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -87.15 162.35 43.73 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.543 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.492 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 58.3 Cg_endo -72.58 79.07 1.93 Allowed 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 121.927 1.751 . . . . 0.0 112.167 177.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.453 HD12 HD22 ' A' ' 115' ' ' LEU . 73.0 mt -86.66 153.88 21.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.608 177.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.496 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -65.72 155.77 85.09 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.751 178.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.414 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 9.7 Cg_endo -52.8 -30.03 45.28 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.524 2.816 . . . . 0.0 114.247 -175.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.712 ' HB3' HH11 ' A' ' 77' ' ' ARG . . . -93.02 -18.03 23.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.975 0.417 . . . . 0.0 111.117 -178.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.496 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.2 m-20 -81.69 -24.1 36.43 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.483 -176.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.614 HG23 HD11 ' A' ' 115' ' ' LEU . 77.2 mt -61.21 -59.61 13.18 Favored Pre-proline 0 CA--C 1.54 0.592 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.846 176.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.497 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 10.3 Cg_endo -53.6 -30.7 56.35 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.925 2.417 . . . . 0.0 113.119 177.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 98.6 mt -71.19 -46.85 60.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.132 0.491 . . . . 0.0 110.178 -178.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.632 HD11 ' O ' ' A' ' 111' ' ' PRO . 3.3 tm? -72.15 -37.79 69.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.086 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.57 -40.37 65.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.137 177.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.73 -26.02 40.92 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 120.554 -0.459 . . . . 0.0 111.273 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.486 ' HB3' HD22 ' A' ' 127' ' ' LEU . 86.8 t80 -65.95 -45.83 80.35 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 15.4 ptp -69.46 -37.42 77.32 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.988 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.48 -44.18 89.27 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.077 0.465 . . . . 0.0 111.432 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.439 HD12 HG13 ' A' ' 72' ' ' VAL . 45.1 mt -64.49 -45.4 87.5 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.032 -177.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 36.7 mtp85 -75.88 -16.9 59.97 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.763 -177.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.96 -38.29 12.35 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 177.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -175.014 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.8 mttm . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.457 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 70.3 mtm -102.43 138.12 39.77 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.385 0.612 . . . . 0.0 111.185 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.81 ' HB ' HG23 ' A' ' 84' ' ' ILE . 42.1 mt -112.75 117.93 56.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 114.704 -1.135 . . . . 0.0 108.294 178.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -92.62 124.64 36.79 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -175.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 57.9 t -125.49 128.02 72.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -179.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.482 ' HB ' HD21 ' A' ' 54' ' ' LEU . 3.1 m -106.96 128.95 61.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.301 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.39 124.1 51.66 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.86 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.516 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -101.82 112.77 25.49 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.443 -177.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.547 HG23 HG23 ' A' ' 22' ' ' ILE . 7.5 mt -92.79 100.25 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.14 177.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.75 HD13 HG21 ' A' ' 91' ' ' VAL . 1.2 mm -81.37 101.78 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.479 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . 6.1 tm-20 -123.35 124.02 42.02 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.182 0.515 . . . . 0.0 109.697 -174.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -145.46 137.71 25.68 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.376 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 67.99 2.63 3.22 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.645 0.59 . . . . 0.0 112.183 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.98 10.02 40.99 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.288 -0.958 . . . . 0.0 112.134 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -123.14 144.97 48.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.817 0.341 . . . . 0.0 110.184 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.547 HG23 HG23 ' A' ' 15' ' ' ILE . 35.3 mt -106.51 149.07 10.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.886 -175.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.662 ' HB2' ' HB ' ' A' ' 16' ' ' ILE . 1.4 tt -85.74 120.06 26.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.29 178.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.495 HD13 ' SG ' ' A' ' 109' ' ' CYS . 7.3 mp -118.01 134.28 55.12 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.907 175.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.91 126.36 53.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.475 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 . . . . . 0 C--N 1.322 -0.615 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 175.927 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.547 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.497 HD23 ' HB2' ' A' ' 118' ' ' PRO . 17.3 mt -76.66 150.78 36.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.783 0.325 . . . . 0.0 111.299 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.473 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 50.1 m95 -115.35 148.79 38.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.363 176.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -140.73 163.61 32.43 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 175.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.465 ' HZ ' HD23 ' A' ' 127' ' ' LEU . 68.7 m-85 -76.24 159.18 30.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 174.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.459 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -82.21 164.88 20.92 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.316 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.15 -133.09 5.49 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.578 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' O ' HG13 ' A' ' 11' ' ' VAL . . . 160.16 -146.23 12.34 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.525 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.548 ' HG2' ' N ' ' A' ' 44' ' ' VAL . 54.7 tttt -111.36 153.99 25.22 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.931 0.396 . . . . 0.0 110.316 -175.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.548 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 38.3 t -106.77 106.29 20.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.256 177.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -68.12 150.1 97.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 176.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -60.85 0.93 0.66 Allowed 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 123.072 2.515 . . . . 0.0 114.595 -172.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -108.91 -15.48 14.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.992 0.425 . . . . 0.0 111.946 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.408 ' HG3' HG13 ' A' ' 44' ' ' VAL . 17.2 pt-20 -108.52 159.73 16.47 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.962 -176.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.5 t -93.47 165.05 12.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.422 -178.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -59.19 -55.07 39.65 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 122.401 0.28 . . . . 0.0 111.154 -178.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.479 ' HG2' HG11 ' A' ' 68' ' ' VAL . 76.5 mtt180 -62.56 -36.78 83.74 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.382 -179.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.479 HE21 ' HB2' ' A' ' 52' ' ' GLN . 1.5 tt0 -67.99 -40.67 83.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.207 -178.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.07 -48.25 81.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.83 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.616 ' O ' HD13 ' A' ' 58' ' ' LEU . 28.1 mt -61.75 -44.34 97.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.68 0.276 . . . . 0.0 110.736 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.23 -45.98 97.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.241 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.633 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.0 ppt_? -75.05 -40.11 60.56 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.649 -176.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.12 -53.75 54.8 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.638 0.256 . . . . 0.0 111.385 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.616 HD13 ' O ' ' A' ' 54' ' ' LEU . 9.2 mp -59.14 -35.49 73.58 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-O 120.651 0.262 . . . . 0.0 111.12 176.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -61.84 -33.75 74.73 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.724 0.297 . . . . 0.0 111.065 176.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.633 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 29.1 mt-10 -87.71 -41.04 13.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.896 0.379 . . . . 0.0 111.002 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.5 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 81.8 mm-40 -87.88 -49.7 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -176.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.681 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 65.2 mt -99.85 3.78 44.83 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.815 -173.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.32 25.47 26.43 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 121.203 -0.522 . . . . 0.0 114.383 -175.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.561 HG12 ' HB2' ' A' ' 62' ' ' LEU . 42.8 pt -119.23 144.47 27.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 117.763 0.781 . . . . 0.0 111.763 -178.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -100.81 101.15 11.93 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.482 174.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.577 ' HA ' ' HA ' ' A' ' 94' ' ' PHE . . . -96.44 157.92 15.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.595 -170.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.5 m -110.44 111.0 21.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.293 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.54 ' HA ' ' CE2' ' A' ' 89' ' ' TRP . 33.9 t -84.84 140.17 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 -175.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.15 -73.51 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.775 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -92.54 121.55 34.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.366 0.603 . . . . 0.0 112.28 -172.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 89' ' ' TRP . 58.2 m-85 -92.57 146.44 23.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.714 177.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.0 t -93.59 -68.46 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.945 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.1 176.48 9.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.745 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.9 m -142.5 143.68 32.65 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -137.43 137.86 39.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.536 -173.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -110.0 145.52 36.85 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.427 0.632 . . . . 0.0 111.262 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.576 ' HG3' HG13 ' A' ' 84' ' ' ILE . 35.3 ptt180 -155.69 175.35 14.03 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 176.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -120.02 150.95 39.73 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.461 -0.895 . . . . 0.0 111.891 177.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.633 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.6 p -122.05 96.19 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 171.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.9 p 46.52 71.02 0.33 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.955 -175.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.31 -23.03 6.54 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.761 -0.733 . . . . 0.0 114.466 175.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -95.51 137.25 34.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.516 0.658 . . . . 0.0 110.334 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' A' ' 8' ' ' MET . 2.1 mp -94.54 116.68 36.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.944 0.402 . . . . 0.0 110.593 -174.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.81 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -92.24 135.81 26.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.262 0.553 . . . . 0.0 110.712 178.381 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -117.89 102.14 8.85 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.622 -176.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.59 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.5 mp -93.92 130.52 39.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.837 0.351 . . . . 0.0 111.153 -176.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -111.58 114.73 27.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.455 177.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -91.56 118.42 30.59 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.698 0.285 . . . . 0.0 110.536 178.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.574 ' HH2' ' HB1' ' A' ' 66' ' ' ALA . 4.2 t90 -113.73 132.83 55.67 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.722 -178.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.55 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 13.7 t-80 -87.63 125.78 34.57 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 176.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.75 HG21 HD13 ' A' ' 16' ' ' ILE . 24.1 t -87.28 107.87 16.79 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-O 120.825 0.345 . . . . 0.0 110.274 -174.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.55 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 91.0 Cg_endo -82.32 -21.02 5.65 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.693 2.262 . . . . 0.0 111.816 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -158.19 137.68 11.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.536 -176.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.577 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 28.9 p90 -149.99 140.08 22.07 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.826 177.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -113.33 138.5 49.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.535 -177.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.44 -161.65 13.26 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 -177.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.8 m -123.96 129.0 50.24 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 117.101 0.451 . . . . 0.0 109.912 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.523 ' HG ' ' H ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -78.89 122.43 26.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.571 0.7 . . . . 0.0 111.077 -175.192 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.681 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.6 pt20 -134.95 168.67 18.66 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.515 -1.221 . . . . 0.0 108.899 -177.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -107.93 123.56 48.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.896 0.379 . . . . 0.0 111.65 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.5 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 19.9 t-80 -95.55 -70.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.267 176.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -80.41 -34.54 36.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.452 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -81.44 166.47 20.34 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -83.0 -68.81 0.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.843 0.354 . . . . 0.0 111.546 -174.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -136.65 166.28 23.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.632 -176.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.405 HD12 HD21 ' A' ' 23' ' ' LEU . 1.5 mm? -116.13 140.12 49.62 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.8 p -130.62 139.18 51.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 173.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -101.14 114.43 28.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.157 175.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.495 ' SG ' HD13 ' A' ' 24' ' ' LEU . 25.2 p -135.6 152.45 51.26 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.119 177.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.528 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 15.1 m -71.88 161.88 76.35 Favored Pre-proline 0 C--N 1.319 -0.717 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.33 -176.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 110' ' ' SER . 5.1 Cg_endo -47.35 -53.26 6.66 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.234 2.623 . . . . 0.0 113.852 -176.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.464 ' CD ' ' H ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -69.37 -24.22 63.85 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.288 -177.372 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.462 ' O ' ' HD1' ' A' ' 117' ' ' TYR . 52.1 mm-40 -72.15 -42.92 65.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.739 174.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.05 81.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.18 -173.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.658 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -76.39 -7.98 56.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.991 0.424 . . . . 0.0 110.765 -176.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -93.47 -1.7 55.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.089 0.471 . . . . 0.0 110.194 173.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.462 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 34.2 m-85 -94.71 158.85 34.62 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.607 176.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.497 ' HB2' HD23 ' A' ' 36' ' ' LEU . 57.0 Cg_endo -71.65 76.01 1.99 Allowed 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.187 1.925 . . . . 0.0 112.125 178.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.473 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 70.5 mt -81.34 152.72 27.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.12 176.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.51 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -62.44 153.5 76.44 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.316 176.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -56.87 -19.16 30.51 Favored 'Trans proline' 0 CA--C 1.534 0.522 0 C-N-CA 123.004 2.469 . . . . 0.0 113.676 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.456 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -90.39 -23.91 20.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.714 0.293 . . . . 0.0 110.878 178.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.51 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.1 m-20 -81.59 -22.59 37.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.576 -175.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.456 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 48.2 mm -61.86 -59.58 12.81 Favored Pre-proline 0 CA--C 1.537 0.475 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.066 -177.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.456 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 19.7 Cg_endo -59.67 -25.69 79.81 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.455 2.103 . . . . 0.0 112.677 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 91.3 mt -76.15 -45.8 31.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.833 0.349 . . . . 0.0 110.297 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.658 ' HB3' HD23 ' A' ' 115' ' ' LEU . 2.9 tm? -71.42 -35.62 71.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.776 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -49.99 -47.8 52.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 175.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.504 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -79.8 -15.21 57.88 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.728 -178.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.423 ' HB3' HD22 ' A' ' 127' ' ' LEU . 55.9 t80 -76.25 -47.85 22.36 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.6 ptm -67.78 -35.78 79.28 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.676 175.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.504 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -57.48 -43.88 84.44 Favored 'General case' 0 C--N 1.338 0.101 0 CA-C-O 120.93 0.395 . . . . 0.0 111.148 170.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 129' ' ' ALA . 1.1 tp -66.24 -32.48 73.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.211 -176.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -85.5 -18.61 32.98 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.644 -0.423 . . . . 0.0 111.643 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.16 -39.14 12.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.977 0.418 . . . . 0.0 110.706 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.097 177.946 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.414 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 62.4 mtt -109.06 139.52 43.84 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.731 0.777 . . . . 0.0 112.286 -172.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.757 ' HB ' HG23 ' A' ' 84' ' ' ILE . 24.1 mt -108.5 116.69 52.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 114.268 -1.333 . . . . 0.0 107.729 173.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -94.37 123.77 37.98 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 -171.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.63 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 97.1 t -132.08 123.64 51.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.206 0.527 . . . . 0.0 109.758 -178.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.474 ' HB ' HD21 ' A' ' 54' ' ' LEU . 3.9 m -99.11 133.95 39.89 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.953 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 88' ' ' ALA . . . -119.54 131.46 55.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.138 0.494 . . . . 0.0 110.816 -174.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.499 ' HA ' ' CD1' ' A' ' 89' ' ' TRP . . . -102.54 121.1 41.69 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.163 -176.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.5 HG23 HG23 ' A' ' 22' ' ' ILE . 5.4 mt -98.24 100.41 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.779 HD13 HG21 ' A' ' 91' ' ' VAL . 1.2 mm -83.47 101.99 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 -178.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . 4.5 tm-20 -112.84 121.02 43.45 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -176.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.71 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -147.51 137.12 22.72 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 175.69 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 65.04 19.78 11.91 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.395 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.45 9.33 79.33 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.864 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -121.15 145.27 47.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.916 0.388 . . . . 0.0 110.559 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.5 HG23 HG23 ' A' ' 15' ' ' ILE . 26.4 mt -105.25 149.64 8.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.26 -178.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.744 HD23 HG13 ' A' ' 16' ' ' ILE . 57.2 tp -88.31 118.06 27.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.072 0.463 . . . . 0.0 111.2 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.411 HD13 ' SG ' ' A' ' 109' ' ' CYS . 6.6 mp -112.7 139.02 48.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.686 176.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.487 ' HB1' ' CB ' ' A' ' 103' ' ' HIS . . . -119.98 120.03 35.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.96 0.41 . . . . 0.0 111.137 -178.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.406 ' HB3' ' H ' ' A' ' 105' ' ' ALA . 19.9 tt0 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.825 -176.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.757 0 N-CA-C 112.296 -0.322 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.488 ' HA ' ' HG2' ' A' ' 118' ' ' PRO . 5.2 mp -76.55 148.21 37.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.975 0.417 . . . . 0.0 111.314 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.486 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 48.2 m95 -115.64 149.55 38.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.916 -177.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -142.67 165.23 27.97 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.482 ' HE1' HG21 ' A' ' 22' ' ' ILE . 97.0 m-85 -79.36 147.37 32.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.91 0.386 . . . . 0.0 109.986 176.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.433 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -73.08 162.7 29.14 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.569 -178.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.12 -139.83 7.32 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.482 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.94 173.8 38.98 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.178 -1.011 . . . . 0.0 113.361 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.413 ' HB3' ' HZ3' ' A' ' 43' ' ' LYS . 3.7 ttpm? -81.14 149.54 29.09 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.383 -0.408 . . . . 0.0 110.001 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.9 t -100.41 119.93 49.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.565 -177.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -73.8 145.63 84.43 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.09 0.03 3.63 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.793 2.329 . . . . 0.0 113.483 -175.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -111.55 -1.07 15.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.259 0.552 . . . . 0.0 111.271 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -119.33 162.17 19.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.631 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 t -93.97 165.62 12.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.348 -178.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -61.52 -53.5 55.59 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.483 0.182 . . . . 0.0 111.036 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.419 ' O ' HG23 ' A' ' 55' ' ' VAL . 92.4 mtt180 -58.89 -38.69 79.42 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.391 0.615 . . . . 0.0 109.99 177.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -68.31 -42.76 78.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.463 -175.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.89 97.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.337 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.73 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 26.1 mt -60.37 -49.11 78.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 0.0 110.613 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 51' ' ' ARG . 61.0 t -60.54 -44.68 97.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.429 -176.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.602 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.7 ppt_? -75.14 -41.84 57.48 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.963 -177.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.69 -40.97 96.88 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 111.469 0.174 . . . . 0.0 111.469 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.73 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 52.9 mt -69.46 -31.08 69.16 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.525 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 59' ' ' ARG . 19.8 ttt85 -64.16 -35.23 80.09 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.7 174.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 35.8 mt-10 -81.23 -41.19 22.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -177.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.561 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 71.9 mm-40 -90.45 -46.73 8.16 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -177.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.651 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 58.9 mt -103.32 1.17 32.43 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -173.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 47.65 33.73 9.38 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 115.045 0.778 . . . . 0.0 115.045 -173.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.442 HG12 ' HB2' ' A' ' 62' ' ' LEU . 31.4 pt -123.72 146.37 29.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 118.304 1.052 . . . . 0.0 111.88 178.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.593 ' HB2' ' HB2' ' A' ' 95' ' ' HIS . 44.1 mt-10 -93.71 98.63 11.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.112 176.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.72 150.21 24.33 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.135 0.493 . . . . 0.0 111.936 -173.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.3 m -113.02 106.86 15.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.327 174.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.821 ' HA ' ' CZ3' ' A' ' 89' ' ' TRP . 23.2 t -86.86 130.85 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.048 -174.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.427 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . -177.48 62.65 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.021 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 70' ' ' GLU . 9.8 pt-20 151.24 111.24 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.808 1.243 . . . . 0.0 109.65 -175.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.769 ' HB3' ' HE1' ' A' ' 87' ' ' HIS . 52.7 m-85 -99.4 149.17 23.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.752 -0.593 . . . . 0.0 110.964 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.9 t -96.09 -70.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.791 0.329 . . . . 0.0 111.443 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.47 178.09 10.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.027 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.0 m -135.61 149.99 49.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.872 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -145.26 146.9 31.87 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 177.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -117.91 143.6 46.19 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.444 0.64 . . . . 0.0 111.604 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.613 ' HD3' ' HB2' ' A' ' 122' ' ' ALA . 18.3 ptt180 -146.11 159.99 42.53 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 176.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -107.26 147.64 29.96 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 119.044 -1.063 . . . . 0.0 111.505 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.621 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.7 p -120.34 93.87 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 115.166 -0.924 . . . . 0.0 108.568 171.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.2 t 47.6 74.31 0.17 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.567 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.03 -8.68 29.34 Favored Glycine 0 CA--C 1.523 0.574 0 C-N-CA 120.984 -0.627 . . . . 0.0 114.657 175.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -110.51 140.27 44.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 117.564 0.682 . . . . 0.0 109.804 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 8' ' ' MET . 1.8 mp -99.11 116.39 42.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 120.912 0.387 . . . . 0.0 110.229 -175.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.757 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -87.12 129.56 38.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.157 0.503 . . . . 0.0 109.903 175.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -108.62 101.86 10.97 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.242 -175.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.63 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 8.3 mp -94.78 123.71 38.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.699 0.285 . . . . 0.0 110.691 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.769 ' HE1' ' HB3' ' A' ' 71' ' ' TYR . 10.0 t-80 -115.24 113.18 23.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.091 178.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 13' ' ' ALA . . . -89.92 144.71 25.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.931 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.821 ' CZ3' ' HA ' ' A' ' 68' ' ' VAL . 9.7 p-90 -139.31 150.8 45.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.716 176.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.515 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 44.1 t-80 -90.07 133.25 34.96 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 176.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.779 HG21 HD13 ' A' ' 16' ' ' ILE . 31.5 t -89.38 107.31 17.51 Favored Pre-proline 0 C--N 1.32 -0.711 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -177.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.515 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 73.9 Cg_endo -78.73 -28.65 4.03 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.512 2.141 . . . . 0.0 111.811 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -153.18 138.55 17.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.771 -177.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -148.7 136.43 20.62 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.776 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.593 ' HB2' ' HB2' ' A' ' 65' ' ' GLU . 23.9 m170 -106.93 140.32 39.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.52 -178.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.56 -160.53 14.4 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.135 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 56.1 m -125.73 134.04 51.9 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.557 HD13 ' H ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -73.93 123.54 24.46 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.472 0.653 . . . . 0.0 111.189 -175.328 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.651 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 26.2 pt20 -127.4 168.36 14.96 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.563 178.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.633 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -111.15 122.37 47.7 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.802 0.334 . . . . 0.0 111.523 178.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.475 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 21.8 t-80 -94.47 -74.41 0.54 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.353 0.597 . . . . 0.0 110.175 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.561 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -76.49 -46.5 26.42 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.642 178.233 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.544 ' O ' ' HB1' ' A' ' 100' ' ' ALA . 66.0 m80 -71.68 151.42 43.66 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.444 -1.253 . . . . 0.0 109.256 -177.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -91.86 -66.74 0.9 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.906 0.384 . . . . 0.0 111.197 -174.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.406 ' H ' ' HB3' ' A' ' 26' ' ' GLN . . . -98.71 153.4 18.75 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.068 -176.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.655 ' HG ' HD11 ' A' ' 23' ' ' LEU . 1.1 mp -130.82 123.59 29.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.7 p -129.69 144.71 37.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.681 0.277 . . . . 0.0 110.883 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 16.9 m-90 -106.78 116.99 32.88 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 173.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.411 ' SG ' HD13 ' A' ' 24' ' ' LEU . 25.5 p -139.32 155.37 47.75 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.295 177.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.3 m -66.89 158.22 81.3 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.231 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.537 ' O ' HD11 ' A' ' 127' ' ' LEU . 50.5 Cg_exo -46.24 -54.19 5.0 Favored 'Trans proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.177 2.584 . . . . 0.0 113.318 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.543 ' CD ' ' H ' ' A' ' 112' ' ' GLU . 1.5 pm0 -70.44 -28.49 65.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.724 0.297 . . . . 0.0 110.83 -177.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -66.8 -42.11 86.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.37 175.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 117' ' ' TYR . . . -60.03 -35.43 75.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.026 -177.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.688 HD11 HG23 ' A' ' 124' ' ' ILE . 0.2 OUTLIER -76.58 -9.22 58.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.895 0.379 . . . . 0.0 110.897 -178.15 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -88.36 -5.22 58.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.01 0.434 . . . . 0.0 110.292 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.408 ' HB2' ' O ' ' A' ' 114' ' ' ALA . 30.4 m-85 -89.83 159.49 43.08 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.66 176.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.488 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 55.6 Cg_endo -73.77 79.09 2.33 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 121.945 1.763 . . . . 0.0 111.658 175.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.486 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 75.7 mt -85.28 153.36 22.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.225 178.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.526 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -61.95 155.0 65.62 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.757 177.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.438 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 11.6 Cg_endo -55.96 -22.68 39.56 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.373 2.715 . . . . 0.0 114.386 -174.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.613 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -98.09 -17.57 19.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.829 0.347 . . . . 0.0 110.671 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.526 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.1 m-20 -81.01 -26.48 36.41 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.386 -176.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.688 HG23 HD11 ' A' ' 115' ' ' LEU . 81.1 mt -63.0 -59.72 11.7 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.461 178.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.522 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 10.1 Cg_endo -53.67 -32.25 64.13 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 123.033 2.489 . . . . 0.0 113.042 177.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.402 HD13 ' HB2' ' A' ' 88' ' ' ALA . 84.0 mt -68.6 -41.95 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.028 0.442 . . . . 0.0 110.228 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.549 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.2 tm? -73.49 -36.23 65.75 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.734 -179.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 33.5 mt-10 -54.2 -42.24 69.53 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.741 0.305 . . . . 0.0 110.621 177.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -81.69 -21.0 38.32 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.779 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -71.59 -45.52 61.93 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -69.34 -31.66 70.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.726 175.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -63.35 -42.24 98.89 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-O 120.931 0.396 . . . . 0.0 111.15 172.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.49 -34.26 75.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 -176.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -81.48 -16.82 50.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.101 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -88.1 -35.21 17.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.01 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.427 179.757 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' HA3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.784 0 N-CA-C 112.105 -0.398 . . . . 0.0 112.105 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.411 ' HD3' ' HA3' ' A' ' 1' ' ' GLY . 2.7 Cg_endo -81.55 108.46 1.93 Allowed 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 123.066 2.511 . . . . 0.0 112.557 178.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 mp -102.14 -65.78 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 175.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.3 -1.45 81.13 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.314 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 m -76.89 -11.08 59.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.324 0.583 . . . . 0.0 109.973 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 61.8 mtt -117.21 148.73 41.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.234 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -119.31 141.22 49.19 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.421 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 62.6 mtm -96.63 141.5 29.81 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 121.638 0.732 . . . . 0.0 111.236 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.72 ' HB ' HG23 ' A' ' 84' ' ' ILE . 26.7 mt -105.46 109.86 29.18 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 114.449 -1.251 . . . . 0.0 107.947 174.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.459 ' OE1' ' HE1' ' A' ' 87' ' ' HIS . 55.2 mm-40 -90.4 127.61 36.25 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 -172.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.62 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 61.7 t -133.37 130.26 57.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 m -107.76 134.74 48.63 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-O 120.892 0.377 . . . . 0.0 110.197 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.25 132.82 56.54 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.616 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.58 121.16 41.82 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.137 0.494 . . . . 0.0 110.441 -175.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.503 HG23 HG23 ' A' ' 22' ' ' ILE . 5.1 mt -95.1 100.13 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.005 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 175.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.51 HD12 HD23 ' A' ' 23' ' ' LEU . 37.3 mt -93.54 101.6 12.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -176.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.578 ' HB3' ' HE2' ' A' ' 90' ' ' HIS . 34.6 tt0 -105.41 108.09 19.42 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.079 -172.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.417 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 13.1 tpt85 -126.47 131.15 51.72 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 72.6 2.33 4.31 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.815 0.697 . . . . 0.0 111.394 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.26 -0.48 37.8 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.388 -0.91 . . . . 0.0 111.208 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.559 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 22.2 mttp -114.96 155.56 26.68 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 120.681 0.277 . . . . 0.0 110.499 -176.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.503 HG23 HG23 ' A' ' 15' ' ' ILE . 15.6 mt -104.7 148.01 9.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.039 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.51 HD23 HD12 ' A' ' 16' ' ' ILE . 36.5 tp -87.19 121.49 29.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.101 0.477 . . . . 0.0 111.009 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.463 HD13 ' SG ' ' A' ' 109' ' ' CYS . 7.4 mp -115.62 136.26 53.24 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.14 177.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.11 123.14 43.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.056 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 37' ' ' TRP . 25.0 tt0 -70.26 119.28 14.21 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.783 -178.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.533 ' NH1' ' HB3' ' A' ' 102' ' ' GLU . 15.7 tpt180 -170.89 118.79 0.48 Allowed Pre-proline 0 N--CA 1.463 0.207 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.619 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -97.22 -153.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 122.675 2.25 . . . . 0.0 111.421 170.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -116.87 -83.95 0.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.858 0.361 . . . . 0.0 110.801 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -113.13 11.37 18.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.153 0.501 . . . . 0.0 109.955 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 m -73.5 129.98 39.13 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.192 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -80.58 -2.39 46.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.53 0.681 . . . . 0.0 110.061 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -105.44 166.69 10.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.84 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.83 -176.68 3.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.311 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.48 -29.67 7.43 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.454 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.416 HD23 ' HB2' ' A' ' 118' ' ' PRO . 1.7 mp -77.0 120.81 22.63 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.186 0.517 . . . . 0.0 111.794 175.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.48 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 16.8 m0 -97.88 155.93 16.83 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.482 177.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -131.3 164.77 24.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.772 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.449 ' HD2' HG12 ' A' ' 15' ' ' ILE . 4.5 m-85 -88.67 117.81 27.89 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.41 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -56.81 150.23 16.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.804 -174.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.3 -133.64 2.98 Favored Glycine 0 N--CA 1.443 -0.879 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -176.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.53 173.53 33.27 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.038 -1.077 . . . . 0.0 113.387 178.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -77.86 145.61 36.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.828 0.347 . . . . 0.0 110.46 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.3 t -100.53 121.24 51.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.061 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -80.05 139.43 53.15 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 171.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.5 -29.85 71.15 Favored 'Trans proline' 0 CA--C 1.529 0.255 0 C-N-CA 122.691 2.261 . . . . 0.0 112.706 -175.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -84.48 -3.11 58.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.798 -177.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -116.54 161.84 18.51 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.441 ' HB3' ' HB3' ' A' ' 52' ' ' GLN . 33.5 t -86.59 154.93 20.68 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 -177.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -62.79 -42.51 99.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.51 0.195 . . . . 0.0 110.999 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.482 ' O ' HG23 ' A' ' 55' ' ' VAL . 77.9 mtt180 -67.76 -39.45 84.14 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 175.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.441 ' HB3' ' HB3' ' A' ' 49' ' ' SER . 31.4 tt0 -66.43 -38.29 87.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.995 -175.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.97 79.39 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.28 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.708 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 24.7 mt -59.42 -46.99 87.16 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.904 0.383 . . . . 0.0 110.697 178.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 51' ' ' ARG . 70.7 t -58.44 -46.83 89.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.017 -177.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.587 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.5 ppt_? -76.74 -40.85 47.1 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.236 -177.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.82 -44.25 94.11 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.556 0.217 . . . . 0.0 111.178 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 44.4 mt -69.14 -31.86 70.83 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 120.538 -0.465 . . . . 0.0 109.884 178.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 59' ' ' ARG . 20.3 ttt180 -64.98 -36.18 83.56 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.778 0.323 . . . . 0.0 110.987 175.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.587 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 28.4 mt-10 -83.47 -41.31 18.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.203 -178.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.616 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 69.3 mm-40 -88.93 -45.91 9.31 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.706 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 65.3 mt -102.34 4.67 39.27 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.781 -172.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.57 27.98 20.22 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 114.81 0.684 . . . . 0.0 114.81 -176.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.4 pt -127.09 142.85 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 118.204 1.002 . . . . 0.0 112.054 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.568 ' HB2' ' HB2' ' A' ' 95' ' ' HIS . 41.3 mt-10 -91.92 97.84 11.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.796 175.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 94' ' ' PHE . . . -84.99 153.31 22.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.278 0.561 . . . . 0.0 111.956 -173.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.59 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 44.7 m -110.98 107.4 16.81 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.254 176.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.401 HG11 ' HG2' ' A' ' 51' ' ' ARG . 36.3 t -80.48 136.07 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.319 -177.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -141.52 -85.23 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.055 -1.069 . . . . 0.0 113.431 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.599 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 10.2 pt-20 -85.05 126.63 33.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.374 0.607 . . . . 0.0 111.302 -172.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -79.64 132.75 36.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.249 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.553 ' HB ' ' O ' ' A' ' 88' ' ' ALA . 90.2 t -92.1 -68.6 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.72 0.295 . . . . 0.0 111.153 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -161.31 163.66 30.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 111.529 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.4 p -123.83 149.09 46.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.043 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -137.75 139.55 40.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.355 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -115.95 137.83 51.75 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.113 0.483 . . . . 0.0 111.217 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.698 ' HG3' HG13 ' A' ' 84' ' ' ILE . 31.9 ptt180 -147.71 173.42 12.79 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -120.4 149.84 41.72 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 119.724 -0.79 . . . . 0.0 111.254 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.605 HG11 HD12 ' A' ' 9' ' ' ILE . 2.5 p -125.63 96.32 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 173.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.6 p 41.74 70.39 0.28 Allowed 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.119 -173.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.79 -22.86 10.08 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 120.756 -0.735 . . . . 0.0 114.517 176.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.51 ' HB2' HG13 ' A' ' 79' ' ' VAL . 99.1 mtt180 -96.65 136.85 36.61 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 117.735 0.767 . . . . 0.0 110.493 -177.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 8' ' ' MET . 2.0 mp -93.63 114.96 31.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 120.861 0.362 . . . . 0.0 110.789 -175.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.72 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -87.53 132.62 32.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.32 0.581 . . . . 0.0 110.025 176.592 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -117.43 97.83 6.09 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.689 -173.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.62 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.7 mp -95.13 135.98 36.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.843 0.354 . . . . 0.0 111.436 -175.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.459 ' HE1' ' OE1' ' A' ' 10' ' ' GLU . 71.9 m80 -118.72 114.38 22.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.073 176.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.553 ' O ' ' HB ' ' A' ' 72' ' ' VAL . . . -93.12 107.46 19.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 51.2 m0 -115.18 143.71 44.8 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.149 0.499 . . . . 0.0 110.718 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.599 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 46.9 t-80 -92.49 115.84 28.45 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.294 -176.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.478 HG21 HG12 ' A' ' 16' ' ' ILE . 11.8 m -91.71 105.48 13.46 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.75 175.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.59 ' HD2' ' O ' ' A' ' 67' ' ' THR . 73.5 Cg_endo -78.17 -2.28 12.38 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.613 2.209 . . . . 0.0 112.649 -176.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.521 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 26.9 t70 -154.5 143.55 21.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.754 -177.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 36.1 p90 -146.45 136.2 23.23 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.992 175.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.568 ' HB2' ' HB2' ' A' ' 65' ' ' GLU . 30.0 m170 -100.55 120.81 40.58 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.147 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 123.15 -160.86 17.61 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.871 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 55.7 m -130.09 135.14 47.9 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.599 HD13 ' H ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -72.52 125.18 26.81 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.489 0.662 . . . . 0.0 111.289 -170.682 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.706 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.8 pt20 -130.55 157.46 42.64 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.068 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.662 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -109.42 106.39 16.14 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.563 -178.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -80.14 -74.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.068 0.461 . . . . 0.0 110.751 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.616 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 13.8 mt-10 -91.48 25.74 2.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.176 0.513 . . . . 0.0 110.98 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -133.5 147.8 51.66 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -82.89 -61.86 1.75 Allowed 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 121.162 -0.215 . . . . 0.0 111.543 -174.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.458 ' H ' ' HB3' ' A' ' 26' ' ' GLN . . . -119.3 154.16 33.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.847 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.662 HD13 ' HB2' ' A' ' 100' ' ' ALA . 1.3 tp -127.84 126.21 41.19 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.8 p -136.53 144.63 32.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.15 0.5 . . . . 0.0 111.883 -175.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -104.58 118.02 35.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.036 173.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.463 ' SG ' HD13 ' A' ' 24' ' ' LEU . 25.9 p -137.3 155.72 49.11 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.287 176.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.481 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 20.1 m -69.32 156.58 91.34 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.124 -177.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.562 ' O ' HD11 ' A' ' 127' ' ' LEU . 8.1 Cg_endo -51.21 -49.49 16.94 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.86 2.373 . . . . 0.0 112.771 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -63.42 -36.38 83.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.866 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.481 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 7.7 mm-40 -68.56 -41.14 80.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.408 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.72 -41.35 90.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.207 -174.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.579 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -73.13 -7.65 52.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.844 0.354 . . . . 0.0 111.391 -174.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -90.73 -0.29 57.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.066 0.46 . . . . 0.0 110.524 176.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.476 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 45.2 m-85 -106.25 164.33 15.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.952 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.476 ' HD2' ' HB3' ' A' ' 117' ' ' TYR . 49.3 Cg_endo -71.81 72.77 2.51 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.532 2.154 . . . . 0.0 112.345 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.44 HD21 HD23 ' A' ' 24' ' ' LEU . 67.9 mt -81.25 153.56 27.06 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.003 175.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.534 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -59.99 149.2 74.84 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.517 0.198 . . . . 0.0 110.522 176.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.98 -20.86 31.55 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.326 2.684 . . . . 0.0 113.932 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -89.98 -25.37 20.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 0.0 111.131 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.534 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.3 m-20 -79.32 -23.91 43.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.507 -175.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.518 HG23 HD11 ' A' ' 115' ' ' LEU . 74.4 mt -61.84 -58.73 16.23 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.161 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.441 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 17.7 Cg_endo -58.53 -26.87 80.33 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 122.547 2.165 . . . . 0.0 112.685 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.431 HD13 ' HB2' ' A' ' 88' ' ' ALA . 86.7 mt -75.7 -44.85 40.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.212 -178.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.579 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.3 tm? -70.15 -37.6 75.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.909 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -48.99 -46.27 43.55 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 176.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.435 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -80.88 -18.28 47.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.737 -177.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.407 ' HB2' HG11 ' A' ' 72' ' ' VAL . 92.8 t80 -73.38 -47.76 39.48 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -68.46 -32.53 72.61 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.528 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -57.49 -41.33 80.5 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.978 0.418 . . . . 0.0 110.839 171.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.9 mp -64.98 -36.56 84.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.035 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -80.3 -27.85 38.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -92.86 -40.18 10.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.817 0.342 . . . . 0.0 111.652 -174.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -87.56 -36.06 17.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.866 0.365 . . . . 0.0 110.113 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.609 ' HA ' ' HE ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER 63.74 104.16 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.216 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.231 179.683 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -67.69 -7.14 18.53 Favored 'Trans proline' 0 N--CA 1.473 0.273 0 C-N-CA 123.173 2.582 . . . . 0.0 112.65 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -97.53 73.83 2.41 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.22 177.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 29.4 t70 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.616 -0.707 . . . . 0.0 109.944 -179.879 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.6 0 N-CA-C 112.097 -0.401 . . . . 0.0 112.097 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.31 -34.25 45.28 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.855 2.37 . . . . 0.0 111.571 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.774 HD23 ' H ' ' A' ' 3' ' ' LEU . 2.4 pt? -105.45 162.2 13.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.429 175.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.39 71.98 2.83 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.822 -0.704 . . . . 0.0 113.07 -175.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 t -80.07 113.98 18.64 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 173.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.543 ' HB2' HD13 ' A' ' 83' ' ' ILE . 22.2 ptp -78.05 126.63 31.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.545 0.688 . . . . 0.0 111.53 -171.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -101.34 140.83 35.1 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.344 -0.844 . . . . 0.0 108.95 173.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.42 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 84.5 mtp -101.79 136.53 41.47 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.698 0.761 . . . . 0.0 111.537 -177.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.721 ' HB ' HG23 ' A' ' 84' ' ' ILE . 53.8 mt -113.13 117.38 55.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 114.447 -1.251 . . . . 0.0 109.385 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -98.05 124.12 42.4 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -178.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.602 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 93.2 t -126.48 128.92 71.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 m -106.77 135.51 44.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-O 121.052 0.453 . . . . 0.0 110.563 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.54 129.7 56.33 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.058 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.601 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.14 111.8 24.22 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.063 0.459 . . . . 0.0 110.039 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.48 HG23 HG23 ' A' ' 22' ' ' ILE . 7.2 mt -94.88 100.09 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 177.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.496 HD12 HD23 ' A' ' 23' ' ' LEU . 35.1 mt -91.83 106.31 17.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.409 -179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.581 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . 17.2 tt0 -112.25 124.27 52.09 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.125 -176.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.833 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -139.82 130.05 25.22 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.25 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 68.09 17.12 9.49 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.704 0.627 . . . . 0.0 111.332 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.64 10.03 63.81 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.413 -0.899 . . . . 0.0 111.758 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 15.8 mmtp -120.32 142.14 49.39 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -178.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.501 HG21 ' HE1' ' A' ' 39' ' ' PHE . 48.5 mt -103.7 140.13 22.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.0 -178.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.502 HD11 ' HB3' ' A' ' 106' ' ' LEU . 49.6 tp -77.28 116.52 17.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.176 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.583 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 54.6 mt -114.74 131.63 56.71 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.94 175.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.51 ' HB1' ' CB ' ' A' ' 103' ' ' HIS . . . -117.42 125.3 50.72 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.618 -177.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.648 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 8.3 tt0 -73.57 112.12 9.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.29 -178.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.739 ' HB3' ' HD2' ' A' ' 103' ' ' HIS . 2.3 tmm_? 160.54 100.46 0.0 OUTLIER Pre-proline 0 N--CA 1.471 0.586 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.413 ' O ' ' HD2' ' A' ' 27' ' ' ARG . 42.5 Cg_endo -85.12 -154.72 0.05 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.111 1.874 . . . . 0.0 111.29 178.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -145.06 -61.64 0.35 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.489 -0.485 . . . . 0.0 111.896 -176.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -92.23 18.08 8.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.352 0.596 . . . . 0.0 110.702 -176.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 t -145.06 123.91 12.67 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.193 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -93.23 73.25 4.6 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 176.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -138.22 130.51 28.88 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.179 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.66 144.47 26.64 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.562 -177.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.33 -24.25 11.63 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.912 -0.661 . . . . 0.0 113.203 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.58 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 5.9 mp -76.03 147.35 38.8 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.148 0.499 . . . . 0.0 111.984 -177.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.583 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 19.2 m95 -120.42 156.83 30.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.291 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -147.69 170.89 16.57 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.501 ' HE1' HG21 ' A' ' 22' ' ' ILE . 70.5 m-85 -81.08 145.7 30.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 174.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.92 160.13 31.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.713 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.76 -135.96 7.88 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.09 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.94 -171.68 35.01 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.839 -178.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 44' ' ' VAL . 53.0 tttm -78.36 155.35 30.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.415 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 59.4 t -106.37 129.35 59.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.424 178.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.468 ' C ' ' H ' ' A' ' 47' ' ' ASP . 36.3 mm-40 -91.49 152.57 43.71 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 174.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -68.26 12.29 0.24 Allowed 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 122.564 2.176 . . . . 0.0 112.39 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.468 ' H ' ' C ' ' A' ' 45' ' ' GLU . 32.3 t70 -105.15 -10.45 17.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.413 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -135.34 169.32 17.66 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.135 -173.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.5 m -91.78 160.0 15.54 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.166 176.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -70.69 -42.67 70.39 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -173.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -69.64 -31.74 70.0 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -65.06 -40.51 94.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.802 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.95 97.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.886 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.656 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 42.9 mt -62.97 -47.8 81.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.827 0.346 . . . . 0.0 110.8 178.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.96 -45.41 95.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.268 -177.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.591 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.3 ppt_? -69.41 -41.77 75.96 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.434 -0.507 . . . . 0.0 111.03 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 5.0 mm-40 -61.28 -52.13 66.0 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 178.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 28.0 mt -62.33 -35.49 79.25 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.521 -177.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 59' ' ' ARG . 16.4 ttt180 -59.63 -34.16 72.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.96 0.409 . . . . 0.0 110.914 174.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.591 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 21.0 mt-10 -87.26 -40.49 14.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.605 -177.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.633 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 4.8 pt-20 -92.77 -42.65 9.45 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -177.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.672 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 60.4 mt -101.55 2.86 39.51 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.459 -173.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.37 26.53 30.17 Favored Glycine 0 CA--C 1.522 0.484 0 C-N-CA 121.166 -0.54 . . . . 0.0 114.054 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.3 pt -125.32 142.18 42.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.652 0.739 . . . . 0.0 112.022 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -93.45 93.3 8.06 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.633 -1.167 . . . . 0.0 108.66 176.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.457 ' HA ' ' HA ' ' A' ' 94' ' ' PHE . . . -85.61 157.45 20.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.891 -172.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.545 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 28.3 m -117.78 104.88 11.4 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.387 175.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.4 t -80.83 121.33 34.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.171 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.496 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . -169.11 68.4 0.16 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 119.864 -1.16 . . . . 0.0 113.834 -174.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.569 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 14.0 pt-20 159.52 142.92 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.224 1.01 . . . . 0.0 109.406 175.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.425 ' HD1' ' NE1' ' A' ' 89' ' ' TRP . 8.5 t80 -104.83 126.51 51.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.571 -170.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.476 ' HA ' ' CD2' ' A' ' 133' ' ' LEU . 89.6 t -96.02 -70.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.952 175.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -162.1 177.16 9.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.036 0.446 . . . . 0.0 111.64 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.1 p -143.86 147.57 34.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.104 175.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -132.53 135.07 45.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.268 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -105.2 139.23 40.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.066 0.46 . . . . 0.0 110.228 173.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.495 ' HG3' HG13 ' A' ' 84' ' ' ILE . 21.6 ptt85 -152.82 174.9 13.49 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 174.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -120.66 150.52 40.8 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 119.773 -0.771 . . . . 0.0 111.075 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.644 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.3 p -116.94 93.28 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 171.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.4 m 41.77 71.69 0.2 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.196 -177.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.29 -24.02 18.62 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 114.755 0.662 . . . . 0.0 114.755 176.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.507 ' HB2' HG13 ' A' ' 79' ' ' VAL . 52.8 mtt180 -97.57 138.42 35.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.013 0.906 . . . . 0.0 110.262 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.543 HD13 ' HB2' ' A' ' 6' ' ' MET . 1.9 mp -94.78 116.78 36.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.008 0.432 . . . . 0.0 111.044 -176.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.721 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -93.14 137.2 23.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.969 178.556 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -123.04 98.02 5.7 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.143 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.602 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 5.5 mp -90.94 135.74 33.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.869 0.366 . . . . 0.0 111.53 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -114.14 119.34 36.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.103 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -99.22 108.92 21.62 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.002 0.43 . . . . 0.0 110.614 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.533 ' HD1' ' O ' ' A' ' 70' ' ' GLU . 2.0 m-90 -106.25 149.87 26.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.383 176.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.581 ' NE2' ' HB3' ' A' ' 17' ' ' GLU . 50.5 t-80 -95.52 130.12 42.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.407 ' HB ' ' HA ' ' A' ' 16' ' ' ILE . 58.3 t -90.7 104.15 8.55 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.576 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 84.4 Cg_endo -80.74 -24.49 4.97 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.829 2.353 . . . . 0.0 112.58 -178.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -148.35 138.9 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.599 -175.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.476 ' HE1' ' HD2' ' A' ' 18' ' ' ARG . 45.3 p90 -146.99 136.92 23.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.194 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -107.4 120.5 42.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.923 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 128.97 -161.66 22.52 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.881 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.6 m -119.47 120.34 36.53 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.816 HD23 ' H ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -72.68 116.58 13.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.716 -175.17 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.672 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 8.9 pt20 -133.11 171.0 14.58 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.541 -1.208 . . . . 0.0 109.474 -174.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.495 ' HB1' ' O ' ' A' ' 103' ' ' HIS . . . -109.81 115.38 29.73 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.905 0.384 . . . . 0.0 110.821 178.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.633 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 16.4 t-80 -105.9 -55.73 2.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.44 178.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -91.51 -38.73 12.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.235 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.739 ' HD2' ' HB3' ' A' ' 27' ' ' ARG . 46.7 m80 -79.87 160.65 25.97 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -83.17 -52.02 6.98 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -173.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -147.2 165.78 29.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.86 -0.154 . . . . 0.0 110.614 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.502 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.8 mm? -117.47 140.97 48.91 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 123.186 0.304 . . . . 0.0 110.182 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.9 p -128.96 134.24 64.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 169.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.585 ' HE1' HD11 ' A' ' 98' ' ' LEU . 25.1 m-90 -100.5 113.42 26.2 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 176.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 12.4 p -136.4 152.66 50.86 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.486 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.423 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 3.1 m -65.7 160.95 57.29 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.039 -178.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.56 ' O ' HD11 ' A' ' 127' ' ' LEU . 5.6 Cg_endo -49.53 -48.2 19.86 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.786 2.324 . . . . 0.0 112.76 179.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.64 -32.52 74.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.763 0.316 . . . . 0.0 111.101 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.452 ' O ' ' HD1' ' A' ' 117' ' ' TYR . 24.1 mm-40 -71.81 -38.25 70.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.836 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.56 -39.72 81.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.787 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.598 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -74.63 -14.3 60.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.772 0.32 . . . . 0.0 110.547 -177.632 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -80.09 -13.92 58.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.066 0.46 . . . . 0.0 110.512 175.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.452 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 35.6 m-85 -89.89 159.59 42.67 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.398 -178.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.58 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 41.5 Cg_endo -70.22 82.43 0.85 Allowed 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.279 1.986 . . . . 0.0 111.626 176.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 71.0 mt -91.19 153.01 20.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.191 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.534 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -66.25 156.17 85.75 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.506 177.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.23 -23.57 37.63 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.191 2.594 . . . . 0.0 113.502 -177.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.428 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -87.34 -28.1 22.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.612 0.244 . . . . 0.0 111.115 -179.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.534 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.8 m-20 -78.4 -24.0 46.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.146 0.498 . . . . 0.0 110.501 -175.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.509 ' HB ' ' HD3' ' A' ' 125' ' ' PRO . 79.5 mt -61.3 -60.34 10.82 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.129 -177.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.509 ' HD3' ' HB ' ' A' ' 124' ' ' ILE . 28.4 Cg_endo -63.39 -24.44 71.28 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.536 2.157 . . . . 0.0 112.666 -178.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 93.1 mt -73.65 -43.51 59.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.598 ' HB3' HD23 ' A' ' 115' ' ' LEU . 2.8 tm? -72.28 -37.32 69.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.132 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -51.64 -44.65 63.04 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.818 0.342 . . . . 0.0 110.817 175.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.491 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -80.38 -15.36 57.02 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.542 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.456 ' HB3' HD22 ' A' ' 127' ' ' LEU . 66.2 t80 -76.26 -47.19 24.72 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 177.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 16.1 ptp -65.52 -35.89 82.22 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.138 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.491 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -59.37 -39.82 84.5 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.984 0.421 . . . . 0.0 110.719 171.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.476 ' CD2' ' HA ' ' A' ' 72' ' ' VAL . 0.9 OUTLIER -67.78 -30.09 69.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.972 -178.196 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.517 ' HD3' ' HG3' ' A' ' 111' ' ' PRO . 51.6 mtp85 -86.13 -24.12 26.35 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 177.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -88.63 -39.56 13.97 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.783 -176.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -91.34 -37.94 12.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.964 178.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.48 ' HA ' ' HE ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER 60.07 91.37 0.08 OUTLIER Pre-proline 0 N--CA 1.466 0.371 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.192 177.766 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -62.24 142.19 90.64 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.464 2.109 . . . . 0.0 111.549 173.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.47 -61.8 1.67 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.877 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.499 -0.762 . . . . 0.0 110.067 -178.47 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 112.038 -0.425 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.2 113.41 3.69 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.445 2.097 . . . . 0.0 112.285 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.63 -21.35 65.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.163 177.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.82 78.42 0.42 Allowed Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 176.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 m -92.18 115.69 28.3 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.108 0.48 . . . . 0.0 109.926 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.532 ' HB2' HD13 ' A' ' 83' ' ' ILE . 21.5 ptp -84.57 143.65 29.16 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.375 -174.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -90.96 137.5 32.32 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 173.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 54.5 mtp -104.9 134.13 48.53 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.733 0.778 . . . . 0.0 112.063 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.734 ' HB ' HG23 ' A' ' 84' ' ' ILE . 36.5 mt -115.21 114.7 47.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.163 176.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -94.46 127.13 40.17 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.581 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 90.1 t -132.4 130.08 59.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.462 HG12 ' HB2' ' A' ' 87' ' ' HIS . 1.7 m -106.14 135.9 42.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-O 121.047 0.451 . . . . 0.0 110.27 176.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.7 132.8 56.43 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.637 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.1 123.92 46.8 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.13 0.49 . . . . 0.0 110.275 -176.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.43 HG12 ' HD2' ' A' ' 39' ' ' PHE . 3.8 mt -94.68 99.81 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 176.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.549 HG12 HG21 ' A' ' 91' ' ' VAL . 34.9 mt -94.64 109.77 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.238 -174.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 65.8 tt0 -106.65 134.45 49.78 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.559 -174.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -143.23 120.58 11.6 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 65.99 10.98 7.41 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.437 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.74 2.41 43.05 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.174 -1.012 . . . . 0.0 112.261 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 10.0 mttp -114.81 151.64 33.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.412 ' CG2' HG23 ' A' ' 15' ' ' ILE . 7.1 mt -104.33 147.88 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -178.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.608 HD11 ' HB3' ' A' ' 106' ' ' LEU . 52.5 tp -85.92 117.5 24.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.194 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 mp -109.86 139.16 45.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.088 177.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.94 121.69 39.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.855 0.36 . . . . 0.0 111.5 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -69.58 110.01 4.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.964 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.551 ' HB3' ' CD2' ' A' ' 103' ' ' HIS . 20.9 ttt180 156.47 131.51 0.0 OUTLIER Pre-proline 0 N--CA 1.471 0.59 0 C-N-CA 124.96 1.304 . . . . 0.0 108.596 175.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -89.26 -147.24 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 122.449 2.099 . . . . 0.0 110.841 174.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.88 -73.92 0.61 Allowed 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.205 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -115.16 -5.48 12.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.326 . . . . 0.0 111.335 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.419 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . 7.6 m -68.72 139.83 55.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.735 -178.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -86.46 -18.6 31.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.88 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.419 ' HG2' ' HB3' ' A' ' 31' ' ' SER . 2.9 pt20 -65.43 97.56 0.3 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.589 0.709 . . . . 0.0 110.878 178.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.22 156.74 24.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.314 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.61 -19.85 16.0 Favored Glycine 0 CA--C 1.502 -0.728 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.547 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.536 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 6.4 mp -76.82 149.63 36.19 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.954 0.407 . . . . 0.0 110.783 177.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.575 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 56.2 m95 -117.7 154.68 31.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.14 -178.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -154.64 162.66 41.03 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 174.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.43 ' HD2' HG12 ' A' ' 15' ' ' ILE . 9.6 m-30 -80.6 139.06 36.46 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.88 161.61 29.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.945 0.403 . . . . 0.0 111.352 -175.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.02 -133.8 3.1 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.43 176.51 37.02 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.232 -0.985 . . . . 0.0 113.107 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -78.62 148.67 33.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.1 t -100.62 111.42 30.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.869 -178.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -74.12 143.62 80.72 Favored Pre-proline 0 C--N 1.317 -0.838 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.63 -9.1 17.09 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.595 2.197 . . . . 0.0 112.846 -176.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -98.15 -3.07 38.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.113 0.482 . . . . 0.0 110.141 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.555 ' HB2' HE21 ' A' ' 52' ' ' GLN . 20.7 pt-20 -127.07 159.26 34.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.527 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 p -96.66 168.09 10.73 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.363 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -60.4 -53.57 56.05 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -172.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.431 ' O ' HG23 ' A' ' 55' ' ' VAL . 81.5 mtt180 -63.22 -34.43 77.63 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.491 0.662 . . . . 0.0 109.607 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.555 HE21 ' HB2' ' A' ' 48' ' ' GLU . 30.1 tt0 -68.73 -42.3 77.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.277 -176.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.5 -45.52 93.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.718 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.662 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 24.1 mt -60.33 -46.71 88.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 110.893 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 51' ' ' ARG . 53.3 t -60.07 -43.42 92.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.3 -177.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.685 ' HD3' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -71.99 -45.12 62.15 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.768 178.492 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.685 ' N ' ' HD3' ' A' ' 56' ' ' ARG . 5.4 mm-40 -61.52 -42.9 99.5 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -176.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 41.7 mt -69.83 -29.57 66.87 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.249 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -68.82 -39.26 80.13 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.714 173.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.636 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 39.6 mt-10 -78.7 -33.5 46.79 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -176.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.524 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 4.1 mt-10 -89.5 -52.18 5.15 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.811 172.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.77 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 23.4 mt -101.05 6.11 43.26 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -166.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 45.05 34.25 4.11 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 114.869 0.707 . . . . 0.0 114.869 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.555 HG12 ' HB2' ' A' ' 62' ' ' LEU . 34.6 pt -123.59 145.12 31.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 117.985 0.892 . . . . 0.0 111.874 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.489 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 34.1 mt-10 -90.25 95.72 10.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.009 174.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.43 ' CB ' HD12 ' A' ' 58' ' ' LEU . . . -87.63 154.63 20.44 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.979 0.419 . . . . 0.0 111.478 -175.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.597 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 64.9 m -116.24 110.21 18.46 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.784 175.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 t -85.71 121.85 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -124.4 -83.72 0.58 Allowed Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.288 -0.958 . . . . 0.0 113.007 -174.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.572 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 15.4 pt-20 -89.17 134.02 34.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.399 0.619 . . . . 0.0 111.643 -173.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.543 ' HB3' ' CZ3' ' A' ' 89' ' ' TRP . 55.1 m-85 -81.15 132.78 35.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.126 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.536 ' HB ' ' O ' ' A' ' 88' ' ' ALA . 86.5 t -94.05 -70.8 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 120.76 0.314 . . . . 0.0 110.898 177.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -163.77 179.79 6.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.471 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.9 m -145.42 151.65 38.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.766 177.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -137.95 147.41 44.27 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -112.45 144.06 42.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.321 0.581 . . . . 0.0 111.693 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.638 ' HG3' HG13 ' A' ' 84' ' ' ILE . 16.4 ptt180 -154.97 173.89 15.92 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 173.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -119.74 151.45 38.75 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 119.562 -0.855 . . . . 0.0 111.067 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.602 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.9 p -122.38 95.1 3.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.343 172.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 p 45.31 67.87 0.66 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.078 -175.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.99 -19.15 23.33 Favored Glycine 0 CA--C 1.522 0.476 0 C-N-CA 121.072 -0.585 . . . . 0.0 114.364 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.478 ' HB2' HG13 ' A' ' 79' ' ' VAL . 63.6 mtt180 -95.75 133.62 39.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.569 0.684 . . . . 0.0 110.108 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.532 HD13 ' HB2' ' A' ' 6' ' ' MET . 1.7 mp -93.87 113.07 27.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-O 121.05 0.452 . . . . 0.0 110.443 -175.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.734 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -90.87 131.25 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.621 178.67 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -116.63 97.28 5.91 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.269 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.581 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.6 mp -89.91 130.36 36.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -176.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.559 ' HB3' ' CZ2' ' A' ' 89' ' ' TRP . 71.8 m-70 -113.87 113.54 25.02 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.809 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.536 ' O ' ' HB ' ' A' ' 72' ' ' VAL . . . -93.77 104.99 17.05 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.166 177.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.559 ' CZ2' ' HB3' ' A' ' 87' ' ' HIS . 2.6 m95 -109.12 142.58 39.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.014 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.572 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 29.3 t-80 -90.87 117.74 29.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.417 -177.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.549 HG21 HG12 ' A' ' 16' ' ' ILE . 14.2 m -95.15 107.06 29.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 174.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.597 ' HD2' ' O ' ' A' ' 67' ' ' THR . 60.1 Cg_endo -71.28 -14.71 31.47 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.728 2.285 . . . . 0.0 112.984 -174.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -158.56 152.55 23.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.098 0.475 . . . . 0.0 111.357 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.441 ' CE2' HD23 ' A' ' 98' ' ' LEU . 41.5 p90 -144.55 140.3 28.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.432 178.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 41.2 t-80 -108.36 124.83 50.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.694 0.283 . . . . 0.0 110.551 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.74 -166.53 17.37 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.472 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.3 m -115.53 117.24 29.8 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.554 HD21 ' HZ2' ' A' ' 108' ' ' TRP . 0.9 OUTLIER -73.72 124.44 26.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.739 0.781 . . . . 0.0 111.049 -173.527 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.77 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 20.0 pt20 -124.89 159.31 31.42 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.71 -1.132 . . . . 0.0 108.69 -177.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' A' ' 103' ' ' HIS . . . -107.02 107.18 18.06 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.533 177.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -89.17 -56.55 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.389 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.524 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 13.9 mt-10 -87.69 -51.52 5.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.706 177.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.551 ' CD2' ' HB3' ' A' ' 27' ' ' ARG . 77.2 m80 -69.81 163.93 24.74 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 177.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -86.6 -63.84 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -173.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -131.7 167.92 18.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.132 -175.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.608 ' HB3' HD11 ' A' ' 23' ' ' LEU . 2.4 mm? -121.77 139.21 53.88 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 -178.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.4 p -135.15 139.58 46.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.886 0.374 . . . . 0.0 110.989 173.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.554 ' HZ2' HD21 ' A' ' 98' ' ' LEU . 97.4 m95 -97.76 117.86 33.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.282 174.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 26.3 p -139.87 155.93 46.97 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 174.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.9 m -72.86 156.54 89.75 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -177.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.517 ' O ' HD11 ' A' ' 127' ' ' LEU . 3.9 Cg_endo -46.52 -49.05 12.51 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.467 2.778 . . . . 0.0 113.395 -177.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -66.4 -35.62 80.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.306 -177.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -70.4 -39.18 74.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.789 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.61 -39.06 72.95 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.123 -176.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.568 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -72.34 -14.2 61.67 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.862 0.363 . . . . 0.0 110.577 -175.158 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -87.18 -7.85 57.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.943 0.401 . . . . 0.0 110.593 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -83.83 160.91 57.31 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 176.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.536 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 50.3 Cg_endo -71.01 75.4 1.74 Allowed 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 121.973 1.782 . . . . 0.0 111.153 175.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.575 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 74.5 mt -80.99 153.45 27.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.697 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.8 148.35 76.19 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.35 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -55.4 -27.33 57.83 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.833 2.355 . . . . 0.0 113.214 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.504 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -92.39 -17.17 24.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.248 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -79.78 -28.79 40.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.338 0.589 . . . . 0.0 110.07 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.549 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 75.8 mt -63.48 -57.63 19.06 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.771 -174.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 18.9 Cg_endo -57.98 -27.15 78.04 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.496 2.131 . . . . 0.0 112.819 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.477 HD11 ' HB3' ' A' ' 86' ' ' LEU . 98.6 mt -73.65 -38.94 64.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.267 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.568 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.2 tm? -76.28 -37.39 57.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.762 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 32.2 mt-10 -56.76 -40.8 76.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.525 0.202 . . . . 0.0 111.081 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.29 -25.58 51.47 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.269 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -67.82 -45.69 74.01 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.7 ptm -70.62 -35.16 72.8 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.014 176.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.57 -50.94 71.98 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.967 0.413 . . . . 0.0 111.558 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.532 ' O ' ' HA ' ' A' ' 137' ' ' ARG . 1.1 mp -65.18 -26.69 68.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.724 -173.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.462 HH11 ' HD2' ' A' ' 134' ' ' ARG . 19.0 mtp180 -92.93 -22.11 19.41 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.685 -177.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.99 -38.1 13.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.991 0.425 . . . . 0.0 110.831 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -93.61 -21.69 19.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.29 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.532 ' HA ' ' O ' ' A' ' 133' ' ' LEU . 29.8 ptt180 40.95 67.24 3.04 Favored Pre-proline 0 N--CA 1.47 0.55 0 C-N-CA 124.312 1.045 . . . . 0.0 112.64 -176.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -88.22 136.24 3.4 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 122.681 2.254 . . . . 0.0 112.544 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -76.21 117.26 17.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.754 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 34.8 t70 . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.345 -0.836 . . . . 0.0 111.265 -178.086 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 112.206 -0.357 . . . . 0.0 112.206 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -65.44 -30.7 52.67 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.839 2.359 . . . . 0.0 112.046 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 mp -93.47 133.19 37.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.599 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.59 101.62 0.47 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.183 -0.532 . . . . 0.0 111.965 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -82.79 65.36 7.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.037 0.446 . . . . 0.0 110.594 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 41.4 mtm -95.4 93.77 7.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.582 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -89.49 151.83 21.77 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 173.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.403 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 51.2 mtt -97.94 131.9 43.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.545 0.688 . . . . 0.0 110.826 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.745 ' HB ' HG23 ' A' ' 84' ' ' ILE . 37.1 mt -105.4 117.03 50.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.017 -0.992 . . . . 0.0 108.964 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -93.67 123.97 37.35 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 92.6 t -128.53 129.05 68.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 m -102.0 133.73 44.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-O 121.053 0.454 . . . . 0.0 110.218 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.81 132.56 55.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.07 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.581 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.89 117.16 34.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.154 0.502 . . . . 0.0 110.816 -177.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.414 HG23 ' CG2' ' A' ' 22' ' ' ILE . 4.4 mt -97.73 100.95 11.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 174.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.574 HD12 HD23 ' A' ' 23' ' ' LEU . 36.8 mt -91.65 104.79 15.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.282 -176.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.626 ' HB3' ' HE2' ' A' ' 90' ' ' HIS . 39.9 tt0 -111.93 113.97 26.6 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.137 -175.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.99 143.48 42.82 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 176.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 69.48 7.56 6.3 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.509 0.506 . . . . 0.0 111.004 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.28 -0.95 64.16 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -177.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 15.7 mmtp -113.96 154.69 27.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.462 -0.369 . . . . 0.0 110.345 -176.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.633 HG21 ' HE1' ' A' ' 39' ' ' PHE . 23.1 mt -104.19 142.85 16.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.574 HD23 HD12 ' A' ' 16' ' ' ILE . 39.2 tp -81.13 119.23 23.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.101 0.477 . . . . 0.0 110.621 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.602 HD13 ' SG ' ' A' ' 109' ' ' CYS . 8.5 mp -114.99 133.75 55.77 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.072 176.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 37' ' ' TRP . . . -108.38 127.22 53.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.3 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -77.55 132.81 38.52 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.36 174.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.407 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 46.2 ttt-85 81.3 107.53 0.03 OUTLIER Pre-proline 0 C--N 1.327 -0.38 0 C-N-CA 124.427 1.091 . . . . 0.0 109.802 -177.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.576 ' HD2' ' HB2' ' A' ' 31' ' ' SER . 16.3 Cg_exo -65.33 -75.23 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 123.014 2.476 . . . . 0.0 112.511 -176.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -157.9 -78.27 0.08 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.351 -176.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -100.23 10.68 40.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.047 -176.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.576 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 48.6 m -75.25 108.24 7.88 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.99 176.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -63.7 -37.29 86.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.424 0.63 . . . . 0.0 109.622 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -73.19 119.83 17.98 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.032 -0.986 . . . . 0.0 110.306 173.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.46 172.17 8.36 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.105 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.11 -29.25 7.81 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.444 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.511 ' H ' HD22 ' A' ' 36' ' ' LEU . 2.0 mm? -74.27 141.99 45.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.666 0.269 . . . . 0.0 110.465 177.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.545 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 35.4 m0 -107.38 147.74 29.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.198 175.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.48 173.65 13.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.896 0.379 . . . . 0.0 111.528 177.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.633 ' HE1' HG21 ' A' ' 22' ' ' ILE . 96.5 m-85 -92.38 118.8 31.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.504 176.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.433 ' HB3' HD11 ' A' ' 62' ' ' LEU . . . -61.73 164.29 6.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.732 -177.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.82 -133.45 3.62 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -176.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.424 ' HA3' ' OE2' ' A' ' 57' ' ' GLU . . . 161.3 179.36 35.97 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.734 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -78.1 150.61 33.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.945 0.402 . . . . 0.0 110.48 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.7 t -99.11 126.3 52.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.649 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 33.7 mm-40 -84.91 143.75 40.71 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 171.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -55.1 -29.3 64.99 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.71 2.273 . . . . 0.0 113.094 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -70.7 -28.56 64.85 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 18.4 pt-20 -104.17 163.45 12.39 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.428 0.633 . . . . 0.0 111.551 -173.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.2 m -96.38 167.2 11.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.734 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -57.42 -57.03 14.43 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.119 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.532 ' O ' HG23 ' A' ' 55' ' ' VAL . 83.2 mtt180 -65.94 -28.5 68.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.208 0.528 . . . . 0.0 109.703 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -71.34 -43.45 66.97 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.394 -172.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.47 -47.33 86.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.875 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.683 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 31.5 mt -61.45 -43.18 99.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.726 0.298 . . . . 0.0 111.27 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 51' ' ' ARG . 53.8 t -61.96 -43.18 97.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.034 -177.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.507 ' HG3' ' N ' ' A' ' 57' ' ' GLU . 13.1 ptt85 -73.36 -44.47 58.65 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.241 -0.583 . . . . 0.0 110.879 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.507 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 5.3 mm-40 -58.2 -46.84 85.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.713 0.292 . . . . 0.0 111.538 -178.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 27.5 mt -69.38 -28.93 66.61 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.09 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 59' ' ' ARG . 21.6 ttt180 -65.1 -36.72 85.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.834 0.349 . . . . 0.0 110.86 174.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 28.8 mt-10 -82.55 -44.24 16.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.281 -177.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.419 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 76.8 mm-40 -91.52 -36.21 13.85 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -175.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.569 HD12 HD22 ' A' ' 58' ' ' LEU . 63.1 mt -110.09 3.85 20.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -174.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 55.6 21.87 30.07 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 114.914 0.725 . . . . 0.0 114.914 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.488 HG23 ' HA ' ' A' ' 98' ' ' LEU . 36.2 pt -122.83 144.55 31.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 118.105 0.952 . . . . 0.0 111.808 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.563 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 28.4 mt-10 -92.18 93.97 8.96 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 173.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.438 ' CB ' HD12 ' A' ' 58' ' ' LEU . . . -78.76 150.26 32.47 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.072 0.463 . . . . 0.0 111.938 -172.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.593 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 57.4 m -109.53 103.98 12.96 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 172.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.53 ' HA ' HG12 ' A' ' 91' ' ' VAL . 39.4 t -85.31 134.75 26.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.498 -175.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.657 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 177.34 74.87 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.221 -0.99 . . . . 0.0 112.596 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.657 ' HG2' ' O ' ' A' ' 69' ' ' GLY . 30.9 mm-40 173.04 103.74 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.122 1.369 . . . . 0.0 109.383 178.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -84.38 113.65 21.32 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 81.2 t -95.73 -70.17 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.801 0.334 . . . . 0.0 111.695 -176.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.98 168.84 22.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.975 0.417 . . . . 0.0 111.45 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.0 p -136.97 143.57 42.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.66 175.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -135.77 135.85 40.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.716 0.293 . . . . 0.0 110.468 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -109.23 145.62 35.58 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.435 0.636 . . . . 0.0 111.115 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -160.76 175.34 12.71 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -119.49 150.5 40.13 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.563 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.625 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.7 p -120.67 95.26 3.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.731 172.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.4 m 47.93 67.5 0.82 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.6 -177.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.7 -23.74 8.52 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 121.06 -0.59 . . . . 0.0 114.483 177.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.431 ' HB2' HG13 ' A' ' 79' ' ' VAL . 75.5 mtt180 -93.07 137.56 32.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.776 0.788 . . . . 0.0 110.158 -177.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 8' ' ' MET . 2.0 mp -94.85 114.2 30.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.075 0.464 . . . . 0.0 110.562 -175.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.745 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -90.79 138.29 19.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.81 178.615 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -118.95 100.79 7.59 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.231 -0.895 . . . . 0.0 108.902 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.457 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.5 mp -89.8 128.76 36.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.993 0.425 . . . . 0.0 111.294 -177.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -109.63 113.02 25.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.261 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.7 107.08 18.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.009 0.433 . . . . 0.0 110.711 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -107.01 130.41 54.65 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.427 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.626 ' HE2' ' HB3' ' A' ' 17' ' ' GLU . 14.8 t-80 -90.54 118.72 30.22 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.44 177.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.53 HG12 ' HA ' ' A' ' 68' ' ' VAL . 17.4 m -91.18 109.78 37.92 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-O 121.23 0.538 . . . . 0.0 109.98 177.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.593 ' HD2' ' O ' ' A' ' 67' ' ' THR . 56.0 Cg_endo -72.57 -11.99 26.63 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.666 2.244 . . . . 0.0 112.601 -178.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -155.62 150.81 26.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.243 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 36.6 p90 -147.15 138.37 23.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.697 174.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.563 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 33.1 t-80 -101.32 130.39 47.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.135 -178.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 109.36 -156.35 15.66 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.812 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.1 m -129.48 139.08 51.69 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.588 HD11 ' CZ2' ' A' ' 108' ' ' TRP . 0.7 OUTLIER -81.72 124.99 30.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.808 0.813 . . . . 0.0 111.394 -173.206 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.436 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 17.2 pt20 -138.3 137.72 37.7 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.716 -176.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.647 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -93.22 122.58 35.76 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -171.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 17.2 t-80 -85.55 -77.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.515 175.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.419 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 42.5 mm-40 -79.35 -29.55 42.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.176 0.513 . . . . 0.0 111.264 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.425 ' HB3' ' HB1' ' A' ' 25' ' ' ALA . 10.0 m-70 -81.78 157.14 24.6 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -178.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -93.41 -67.57 0.85 Allowed 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.337 -172.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.05 150.71 36.85 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.734 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.647 HD13 ' HB2' ' A' ' 100' ' ' ALA . 4.0 mp -123.16 130.21 52.46 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.428 HG11 ' CZ3' ' A' ' 37' ' ' TRP . 12.3 p -134.12 148.02 30.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.873 0.368 . . . . 0.0 111.171 -176.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.588 ' CZ2' HD11 ' A' ' 98' ' ' LEU . 22.2 m-90 -105.41 112.43 25.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.497 175.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.602 ' SG ' HD13 ' A' ' 24' ' ' LEU . 25.9 p -133.18 155.04 50.04 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.602 178.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.4 m -68.15 152.9 96.15 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.031 -178.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.567 ' O ' HD11 ' A' ' 127' ' ' LEU . 6.5 Cg_endo -49.32 -47.49 22.09 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.011 2.474 . . . . 0.0 112.788 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -64.84 -35.8 82.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.866 0.365 . . . . 0.0 111.193 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -74.43 -33.73 63.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.476 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.97 87.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.557 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.619 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -75.39 -11.97 60.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.989 0.423 . . . . 0.0 110.68 -176.138 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -80.48 -10.25 59.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.239 0.543 . . . . 0.0 110.321 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.647 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 36.9 m-85 -103.11 170.11 6.64 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.219 -174.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.647 ' HD2' ' HB3' ' A' ' 117' ' ' TYR . 62.0 Cg_endo -73.26 73.76 3.2 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.244 1.963 . . . . 0.0 112.496 -177.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.545 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 27.8 mt -81.02 149.01 29.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.68 175.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.609 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -65.25 154.78 86.53 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.863 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.401 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 8.2 Cg_endo -50.2 -33.67 36.78 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.651 2.901 . . . . 0.0 114.13 -175.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.455 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -85.23 -21.89 28.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.781 0.324 . . . . 0.0 111.423 -176.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.609 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.7 m-20 -82.08 -23.83 35.55 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.819 -173.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.443 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 76.4 mt -62.71 -58.07 18.68 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.234 -177.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.443 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 19.1 Cg_endo -59.85 -24.53 76.38 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 122.477 2.118 . . . . 0.0 112.61 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.3 mt -76.35 -44.42 36.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.102 0.477 . . . . 0.0 110.033 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.619 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.1 tm? -71.16 -37.54 72.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.068 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -50.76 -45.56 59.03 Favored 'General case' 0 N--CA 1.461 0.099 0 O-C-N 123.15 0.281 . . . . 0.0 111.03 175.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.494 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -80.85 -17.19 51.53 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.673 -178.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -75.81 -48.04 23.27 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.1 ptm -67.34 -33.46 75.29 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.398 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -60.41 -39.7 88.35 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.93 0.395 . . . . 0.0 110.86 172.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.82 -37.73 85.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.581 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -79.15 -20.85 47.49 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -87.27 -37.35 17.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.968 0.413 . . . . 0.0 110.609 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -92.9 -46.84 7.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.49 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 59.83 100.89 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.375 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.226 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -51.25 107.2 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.468 2.778 . . . . 0.0 113.334 -175.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -173.44 30.8 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.422 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 C--O 1.248 1.004 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.818 -173.798 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.808 0 N-CA-C 112.111 -0.396 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.29 -64.61 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.705 2.27 . . . . 0.0 111.641 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.7 tp -96.5 115.76 27.96 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 173.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.54 29.46 6.26 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.638 -176.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 p -62.0 -53.08 60.65 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.049 0.452 . . . . 0.0 110.285 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -68.16 112.83 5.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.394 172.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -87.25 161.6 17.91 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.999 0.428 . . . . 0.0 111.124 -174.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 64.7 mtt -105.71 144.96 31.73 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.091 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.829 ' HB ' HG23 ' A' ' 84' ' ' ILE . 20.6 mt -106.42 115.5 48.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 173.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.53 113.33 24.98 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -171.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 99.4 t -124.22 127.91 73.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.097 0.475 . . . . 0.0 109.837 -175.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 m -98.88 131.26 46.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 176.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.34 131.93 55.26 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -177.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.573 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.13 119.95 39.65 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 121.113 0.482 . . . . 0.0 110.77 -175.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.562 HG12 ' CD2' ' A' ' 39' ' ' PHE . 4.5 mt -94.88 100.04 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.162 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 173.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.542 HD12 HD23 ' A' ' 23' ' ' LEU . 35.4 mt -91.73 101.73 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.533 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . 3.3 tm-20 -119.83 126.08 50.12 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.703 -173.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 19' ' ' ASP . 16.3 tpt180 -149.2 143.73 26.11 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 177.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.472 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 18.1 t70 81.46 -22.49 0.26 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.374 0.67 . . . . 0.0 110.939 -174.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.04 5.55 28.74 Favored Glycine 0 N--CA 1.441 -0.975 0 N-CA-C 109.776 -1.329 . . . . 0.0 109.776 -163.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 4.7 mttp -114.32 145.79 41.32 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.177 -0.512 . . . . 0.0 109.884 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.414 ' CG2' HG23 ' A' ' 15' ' ' ILE . 24.1 mt -106.74 147.23 12.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.542 HD23 HD12 ' A' ' 16' ' ' ILE . 53.9 tp -89.09 122.63 32.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.239 0.543 . . . . 0.0 111.35 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.522 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 7.2 mp -111.9 138.82 48.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.93 178.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.26 114.82 22.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.302 0.572 . . . . 0.0 110.709 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.667 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 31.9 tt0 -69.77 106.57 3.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.611 -175.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.667 ' HB2' ' O ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER 158.53 103.38 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.498 0 O-C-N 124.705 1.253 . . . . 0.0 108.167 173.809 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.581 ' HG2' ' H ' ' A' ' 32' ' ' ASP . 44.6 Cg_endo -81.24 -154.9 0.06 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.543 2.162 . . . . 0.0 111.492 -176.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -144.08 -42.62 0.26 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -175.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -95.72 3.72 53.62 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.188 0.518 . . . . 0.0 110.496 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.8 m -119.78 -47.72 2.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.574 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.581 ' H ' ' HG2' ' A' ' 28' ' ' PRO . 14.6 m-20 69.06 -0.35 2.49 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.399 177.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -85.04 143.13 29.09 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.5 146.46 32.67 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.124 0.488 . . . . 0.0 110.86 -178.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.76 -29.49 7.46 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.794 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.558 ' HA ' ' HG2' ' A' ' 118' ' ' PRO . 4.0 mp -86.99 153.89 21.2 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.215 0.531 . . . . 0.0 111.58 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -118.85 154.18 33.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.387 -174.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.704 ' HG3' ' HE1' ' A' ' 103' ' ' HIS . 10.4 pt-20 -156.12 161.99 40.29 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 172.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.562 ' CD2' HG12 ' A' ' 15' ' ' ILE . 6.8 m-30 -82.14 145.75 29.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.939 0.4 . . . . 0.0 110.218 -176.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.53 164.76 26.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.293 -175.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.61 -136.76 4.89 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -178.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.05 175.38 34.86 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.383 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -78.23 150.66 33.41 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.4 t -91.77 126.34 44.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.381 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.594 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 42.8 mt-10 -97.41 135.68 21.67 Favored Pre-proline 0 C--N 1.319 -0.731 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 173.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.03 14.73 0.07 OUTLIER 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.548 2.832 . . . . 0.0 115.237 -168.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -102.2 -21.26 14.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.407 0.622 . . . . 0.0 110.641 173.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 14.6 pt-20 -109.85 152.36 25.87 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.758 -174.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.3 t -81.89 161.91 22.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.958 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -54.95 -40.68 70.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.725 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.525 ' O ' HG23 ' A' ' 55' ' ' VAL . 81.5 mtt180 -67.36 -40.79 85.83 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 110.012 178.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -67.31 -40.11 85.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.094 -175.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.69 -46.48 87.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.454 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.745 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 67.6 mt -59.97 -48.35 82.06 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.163 0.506 . . . . 0.0 110.337 177.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 51' ' ' ARG . 71.2 t -59.78 -46.58 93.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.527 -176.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.62 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 8.0 ppt_? -77.15 -40.13 46.67 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.342 -176.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.412 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 4.5 mm-40 -61.64 -40.76 96.01 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.168 -0.213 . . . . 0.0 111.399 177.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 40.7 mt -70.73 -29.06 65.21 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 120.262 -0.575 . . . . 0.0 109.847 176.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -66.24 -37.09 84.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.893 0.378 . . . . 0.0 110.674 173.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.62 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 31.2 mt-10 -81.11 -39.35 25.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.618 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.692 ' CD ' ' HB2' ' A' ' 102' ' ' GLU . 1.0 OUTLIER -84.51 -53.26 5.54 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.792 0.294 . . . . 0.0 111.792 179.057 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.73 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 25.2 mt -104.1 8.51 36.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.709 -167.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 46.64 31.71 5.32 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 114.986 0.755 . . . . 0.0 114.986 -175.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.565 HG12 ' HB2' ' A' ' 62' ' ' LEU . 42.3 pt -122.52 142.85 37.38 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 CA-C-N 118.167 0.984 . . . . 0.0 111.574 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -89.06 97.61 11.3 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.856 175.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.491 ' HB1' HG11 ' A' ' 91' ' ' VAL . . . -82.2 150.5 27.33 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.296 0.57 . . . . 0.0 111.873 -174.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.551 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 27.8 m -115.18 112.21 22.16 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.21 173.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.0 t -96.92 128.95 47.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.732 -175.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.85 64.67 0.1 OUTLIER Glycine 0 C--N 1.333 0.41 0 C-N-CA 119.856 -1.164 . . . . 0.0 114.036 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.485 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 11.5 pt-20 164.18 109.17 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.027 0.931 . . . . 0.0 109.827 177.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -79.5 127.02 31.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.124 -174.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.412 ' HA ' HD22 ' A' ' 133' ' ' LEU . 91.1 t -94.6 -70.04 0.65 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.309 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -167.96 -176.72 3.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.87 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.3 m -148.07 150.65 34.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.544 176.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -140.09 146.64 39.16 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -112.86 142.09 45.92 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.291 0.567 . . . . 0.0 111.235 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.633 ' HD3' ' HB2' ' A' ' 122' ' ' ALA . 28.2 ptt180 -145.08 160.29 41.63 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 176.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -108.61 142.0 39.71 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 119.091 -1.043 . . . . 0.0 110.137 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.765 HG11 HD12 ' A' ' 9' ' ' ILE . 2.1 p -112.32 93.22 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 174.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.3 m 36.54 66.84 0.36 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.677 -1.147 . . . . 0.0 112.551 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.6 -22.36 34.29 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 120.701 -0.761 . . . . 0.0 114.579 176.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.527 ' HD2' HD11 ' A' ' 9' ' ' ILE . 50.3 mtt180 -110.63 152.23 26.73 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 117.836 0.818 . . . . 0.0 110.493 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.428 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.7 mp -102.48 113.27 38.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.829 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -86.07 134.14 28.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.15 0.5 . . . . 0.0 110.212 177.334 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -112.75 97.7 6.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.481 -177.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.574 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.9 mp -90.71 124.04 34.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.722 0.296 . . . . 0.0 111.247 -176.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -109.04 116.81 32.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.905 175.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -96.62 116.11 28.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.173 0.511 . . . . 0.0 111.203 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -116.76 147.53 41.97 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.252 175.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.533 ' NE2' ' HB3' ' A' ' 17' ' ' GLU . 10.0 t-160 -96.55 127.49 42.59 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 173.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.491 HG11 ' HB1' ' A' ' 66' ' ' ALA . 13.8 m -91.26 105.23 11.89 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-O 121.168 0.509 . . . . 0.0 109.689 174.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.551 ' HD2' ' O ' ' A' ' 67' ' ' THR . 26.0 Cg_endo -62.86 -22.23 73.7 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.767 2.312 . . . . 0.0 112.078 179.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -145.23 144.29 30.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.875 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -146.1 132.89 20.03 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.722 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -112.5 119.23 37.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.741 -176.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 131.67 -165.13 23.43 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.183 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.1 m -115.91 113.78 23.77 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.531 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -69.04 121.14 16.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.667 0.746 . . . . 0.0 111.086 -176.05 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.73 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 10.8 pt20 -132.92 167.76 19.66 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.286 -177.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.571 ' HB2' HD11 ' A' ' 106' ' ' LEU . . . -102.23 137.39 40.55 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.427 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.592 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 16.1 t60 -125.07 -58.14 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.692 ' HB2' ' CD ' ' A' ' 61' ' ' GLU . 6.4 mm-40 -85.29 -42.26 14.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.707 177.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.704 ' HE1' ' HG3' ' A' ' 38' ' ' GLU . 11.7 m-70 -86.11 -179.39 6.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.913 175.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -112.52 -69.8 0.84 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -172.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.25 162.49 14.03 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.342 -0.224 . . . . 0.0 110.593 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 100' ' ' ALA . 5.6 mp -137.93 136.8 37.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.027 0.441 . . . . 0.0 111.025 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.2 p -132.95 146.6 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.744 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -103.75 117.92 35.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.995 174.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 26.2 p -140.51 155.49 46.62 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.006 175.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.491 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 24.6 m -72.07 160.21 83.32 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 -177.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.491 ' HD2' ' HB3' ' A' ' 110' ' ' SER . 2.6 Cg_endo -46.94 -50.76 10.34 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.473 2.782 . . . . 0.0 113.596 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -67.75 -35.36 78.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.9 0.381 . . . . 0.0 110.692 -177.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.425 ' HA ' ' NE2' ' A' ' 116' ' ' GLN . 43.6 mm-40 -68.05 -38.87 82.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.734 177.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.57 -41.55 73.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.596 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.639 ' HG ' HD12 ' A' ' 127' ' ' LEU . 14.3 mt -72.9 -12.34 60.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.039 -176.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 113' ' ' GLU . 50.5 mt-30 -83.87 -11.96 56.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.017 0.437 . . . . 0.0 110.562 175.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.461 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 48.4 m-85 -89.64 164.43 29.25 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.335 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.558 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 42.9 Cg_endo -72.75 79.79 1.86 Allowed 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.324 2.016 . . . . 0.0 111.708 177.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.419 HD12 HD23 ' A' ' 115' ' ' LEU . 63.6 mt -89.75 152.88 21.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.423 178.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.489 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -66.24 155.85 86.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 176.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.415 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 19.0 Cg_endo -59.37 -14.48 25.07 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.086 2.524 . . . . 0.0 113.698 -176.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.633 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -96.31 -26.38 15.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.544 0.211 . . . . 0.0 111.04 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.489 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 2.4 m-20 -78.25 -24.86 46.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.431 -175.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.461 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 81.4 mt -65.07 -58.79 11.55 Favored Pre-proline 0 CA--C 1.539 0.528 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.905 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.461 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 12.3 Cg_endo -57.9 -30.63 90.31 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 122.555 2.17 . . . . 0.0 112.775 178.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 95.9 mt -70.67 -38.58 73.79 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.139 0.495 . . . . 0.0 109.939 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.639 HD12 ' HG ' ' A' ' 115' ' ' LEU . 1.8 tm? -72.15 -39.5 68.7 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.748 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -52.21 -42.4 63.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.769 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.503 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -82.54 -19.29 38.9 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -73.1 -45.76 55.22 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 177.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.6 ptm -70.95 -31.19 67.7 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.505 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.503 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -61.23 -40.57 94.52 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 120.794 0.33 . . . . 0.0 110.996 172.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 72' ' ' VAL . 1.4 mp -66.71 -37.15 84.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.453 -177.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -81.6 -15.45 54.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.035 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.43 -37.18 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 111.036 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -92.49 -36.47 13.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.648 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.423 ' HA ' ' HD2' ' A' ' 138' ' ' PRO . 35.1 ttm180 64.76 105.45 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.059 -178.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 137' ' ' ARG . 59.3 Cg_endo -72.03 112.36 3.39 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.108 1.872 . . . . 0.0 110.745 171.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -75.51 -30.55 59.84 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.436 -176.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 3.5 p30 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.423 -0.799 . . . . 0.0 109.503 179.748 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 111.886 -0.486 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -83.52 -23.25 3.45 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.032 2.488 . . . . 0.0 113.346 -176.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.6 tt -111.61 127.11 55.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.981 0.42 . . . . 0.0 110.486 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.42 -49.09 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.983 -0.627 . . . . 0.0 111.664 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m 71.29 -58.58 0.57 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.575 0.75 . . . . 0.0 111.383 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -96.03 151.97 18.96 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 173.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.738 ' HB2' ' HG2' ' A' ' 82' ' ' ARG . 85.8 mttt -103.95 122.64 45.64 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -178.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.6 mtt -101.93 130.47 48.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.523 0.677 . . . . 0.0 111.391 -175.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.768 ' HB ' HG23 ' A' ' 84' ' ' ILE . 41.4 mt -109.29 111.6 36.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 114.594 -1.184 . . . . 0.0 108.533 177.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -96.38 120.23 36.31 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -176.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.467 ' HB ' ' HG ' ' A' ' 86' ' ' LEU . 60.0 t -123.24 139.0 51.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -178.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.443 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 2.6 m -111.78 133.65 56.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-O 121.062 0.458 . . . . 0.0 110.421 175.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.25 131.51 55.89 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.635 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.93 119.17 38.38 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.17 0.51 . . . . 0.0 110.31 -177.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 22' ' ' ILE . 5.3 mt -95.24 99.86 10.05 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 176.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.747 HG13 HD23 ' A' ' 23' ' ' LEU . 2.1 mm -82.8 102.81 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.496 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 41.9 tt0 -109.4 113.3 26.0 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.211 -176.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.441 ' NH1' ' HA ' ' A' ' 93' ' ' ASP . 10.6 tpt180 -124.84 123.13 39.28 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.111 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 63.66 18.2 10.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.667 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.64 4.7 60.47 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 9.6 mttp -117.29 149.72 39.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.787 0.327 . . . . 0.0 110.72 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.664 HG21 ' HE1' ' A' ' 39' ' ' PHE . 12.5 mt -105.02 144.44 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.951 -174.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.747 HD23 HG13 ' A' ' 16' ' ' ILE . 52.7 tp -86.39 123.05 31.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.223 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.615 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 42.7 mt -117.01 146.01 43.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.785 175.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.47 122.42 40.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.15 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.47 106.41 2.97 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.524 0.678 . . . . 0.0 111.361 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.599 ' HB3' ' OE2' ' A' ' 38' ' ' GLU . 59.9 ttt180 -178.26 140.99 0.41 Allowed Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 113.931 -1.486 . . . . 0.0 108.019 169.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.601 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 47.7 Cg_endo -74.19 -39.51 1.6 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 121.438 1.425 . . . . 0.0 111.555 174.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 66.5 -69.94 0.11 Allowed 'General case' 0 N--CA 1.468 0.459 0 O-C-N 124.414 1.071 . . . . 0.0 111.643 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -82.7 -2.93 55.58 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.56 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.601 ' HB2' ' HB2' ' A' ' 28' ' ' PRO . 45.5 m -127.0 158.02 38.02 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.227 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -79.74 -45.66 18.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.02 0.438 . . . . 0.0 110.705 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -61.42 119.97 9.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.029 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . . . -92.35 -178.61 4.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 0.0 111.657 -176.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.89 -12.09 57.62 Favored Glycine 0 CA--C 1.508 -0.355 0 C-N-CA 121.252 -0.499 . . . . 0.0 111.882 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.614 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 7.7 mp -84.93 156.51 21.18 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.821 -0.689 . . . . 0.0 111.386 -178.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 42.5 m95 -113.61 146.82 39.13 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 175.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.599 ' OE2' ' HB3' ' A' ' 27' ' ' ARG . 17.0 pt-20 -135.51 161.43 35.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.599 0.238 . . . . 0.0 110.859 -173.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.664 ' HE1' HG21 ' A' ' 22' ' ' ILE . 94.8 m-85 -85.98 117.02 24.56 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 172.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.63 151.33 25.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.303 -176.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 168.2 -146.6 10.62 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.39 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.51 ' HA3' ' HG3' ' A' ' 57' ' ' GLU . . . 176.92 172.46 41.55 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.298 -0.953 . . . . 0.0 113.173 -178.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -78.19 148.83 33.86 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.841 0.353 . . . . 0.0 110.361 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.6 t -96.19 124.5 48.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.411 -175.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.503 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 45.4 mt-10 -79.24 132.88 61.61 Favored Pre-proline 0 N--CA 1.445 -0.697 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 169.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.45 -30.01 71.48 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.5 2.134 . . . . 0.0 112.256 -176.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -84.85 2.62 41.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.649 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.679 ' HB2' HE21 ' A' ' 52' ' ' GLN . 20.1 pt-20 -123.13 163.56 20.33 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 173.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.8 m -83.33 158.92 21.99 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.243 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -67.68 -39.35 84.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 55' ' ' VAL . 55.1 mtt180 -65.87 -36.33 83.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.3 0.572 . . . . 0.0 109.484 173.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.679 HE21 ' HB2' ' A' ' 48' ' ' GLU . 30.7 tt0 -71.68 -40.67 69.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.297 -174.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.35 -44.23 95.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.453 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.717 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 16.9 mt -60.65 -45.58 93.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.886 0.374 . . . . 0.0 110.982 175.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 51' ' ' ARG . 44.2 t -58.62 -43.89 88.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.8 -178.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.668 ' HD3' ' N ' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -74.87 -44.93 46.3 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.329 -179.449 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.668 ' N ' ' HD3' ' A' ' 56' ' ' ARG . 10.0 mm-40 -60.29 -42.03 94.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.594 0.235 . . . . 0.0 111.429 -178.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.717 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 35.9 mt -70.47 -33.57 71.41 Favored 'General case' 0 C--O 1.219 -0.52 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.769 178.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -64.79 -37.49 87.79 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.838 0.352 . . . . 0.0 110.792 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.648 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 30.3 mt-10 -84.56 -38.29 20.15 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.545 -177.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.41 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 71.9 mm-40 -85.31 -52.18 6.07 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.605 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 57.4 mt -93.24 -21.61 19.51 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.096 -172.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.68 22.13 60.51 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 119.96 -1.114 . . . . 0.0 111.325 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.444 HG12 ' HB2' ' A' ' 62' ' ' LEU . 44.4 pt -119.57 142.36 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.162 0.506 . . . . 0.0 111.094 -177.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.444 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 47.4 mt-10 -90.18 93.16 9.25 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 174.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.86 155.29 21.8 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.017 -172.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.656 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 31.2 m -113.29 112.61 24.01 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.21 174.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.412 HG13 ' HB3' ' A' ' 89' ' ' TRP . 48.0 t -94.09 121.86 45.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 -177.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -124.14 -80.55 0.46 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.203 -0.998 . . . . 0.0 113.051 -174.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.804 ' HG2' ' HB3' ' A' ' 90' ' ' HIS . 2.0 pm0 -89.6 129.26 36.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.368 0.604 . . . . 0.0 112.253 -174.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -81.22 136.2 35.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.849 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.6 t -100.99 -70.96 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.56 162.13 41.55 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 120.248 -0.581 . . . . 0.0 112.031 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 70.5 m -130.33 146.16 51.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.962 176.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -135.17 139.63 44.73 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -108.59 146.26 33.6 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.278 0.561 . . . . 0.0 111.18 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -158.27 171.14 20.73 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 174.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.459 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 11.0 pt-20 -114.95 148.3 38.89 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.357 -0.937 . . . . 0.0 111.209 -177.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.601 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.7 p -122.98 95.12 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.101 175.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.1 m 48.53 65.42 1.35 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.057 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.67 2.69 88.46 Favored Glycine 0 CA--C 1.522 0.515 0 C-N-CA 121.173 -0.537 . . . . 0.0 114.211 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.738 ' HG2' ' HB2' ' A' ' 7' ' ' LYS . 78.4 mtm180 -117.39 146.47 43.41 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 117.402 0.601 . . . . 0.0 110.921 177.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.411 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.1 mp -101.33 115.04 42.32 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 120.817 0.342 . . . . 0.0 111.498 -176.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.768 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -92.94 139.06 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.732 175.652 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -125.42 100.56 6.54 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.718 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.467 ' HG ' ' HB ' ' A' ' 11' ' ' VAL . 7.1 mp -87.95 133.72 33.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.16 -178.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.416 ' HB2' HG12 ' A' ' 12' ' ' VAL . 39.9 m80 -116.35 115.24 25.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.167 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.558 ' HB2' HD23 ' A' ' 126' ' ' LEU . . . -89.8 110.15 21.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.99 0.424 . . . . 0.0 110.871 177.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.412 ' HB3' HG13 ' A' ' 68' ' ' VAL . 80.8 m95 -105.73 139.88 39.63 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.595 176.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.804 ' HB3' ' HG2' ' A' ' 70' ' ' GLU . 52.9 t-80 -85.04 121.01 27.2 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.15 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.505 ' HB ' ' HA ' ' A' ' 16' ' ' ILE . 61.6 t -96.37 99.77 5.89 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 174.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.656 ' HD2' ' O ' ' A' ' 67' ' ' THR . 31.4 Cg_endo -86.1 -11.56 6.36 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.955 2.437 . . . . 0.0 112.389 -174.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.441 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 11.7 t70 -158.41 146.24 18.24 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.423 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -148.93 146.09 27.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.443 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 59.9 t60 -107.74 120.87 43.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.983 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.03 -165.39 20.25 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.334 176.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 86.7 m -121.18 127.61 51.68 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.532 HD22 HD22 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -80.36 124.88 29.26 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.671 0.748 . . . . 0.0 111.055 -172.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.605 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 20.1 pt20 -128.05 155.84 43.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.523 -176.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -106.33 107.08 17.91 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.396 -0.522 . . . . 0.0 112.083 -176.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -80.48 -72.06 0.43 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.605 174.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.511 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 17.1 mm-40 -78.8 -18.97 53.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.925 -178.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -105.48 170.83 7.66 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -175.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -88.42 -74.25 0.47 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.201 -0.6 . . . . 0.0 111.752 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -127.22 168.24 14.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.139 -175.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.533 ' HB3' HD11 ' A' ' 23' ' ' LEU . 2.9 mm? -118.72 142.81 47.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.297 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.9 p -134.41 142.59 40.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.886 0.374 . . . . 0.0 110.776 174.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.503 ' CZ2' HD11 ' A' ' 98' ' ' LEU . 21.0 m-90 -104.09 110.67 22.94 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 175.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.7 p -134.42 154.31 51.45 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.884 -176.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.541 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 26.1 m -71.97 156.92 90.38 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.439 ' O ' HD11 ' A' ' 127' ' ' LEU . 52.0 Cg_exo -47.42 -54.9 4.46 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.274 2.649 . . . . 0.0 113.769 -176.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 112' ' ' GLU . 0.5 OUTLIER -72.82 -24.67 60.93 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.564 -174.562 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.541 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 42.2 mm-40 -66.88 -42.15 86.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.262 172.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 117' ' ' TYR . . . -57.32 -35.63 70.1 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.286 -177.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.724 ' HG ' HD12 ' A' ' 127' ' ' LEU . 18.4 mt -75.06 -11.77 60.17 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.634 -178.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -83.63 -12.97 55.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.292 0.568 . . . . 0.0 109.872 172.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 114' ' ' ALA . 27.8 m-85 -85.55 156.31 59.09 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.179 178.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.614 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 55.4 Cg_endo -70.89 81.53 1.09 Allowed 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.869 1.713 . . . . 0.0 111.419 176.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.561 HD12 HD23 ' A' ' 115' ' ' LEU . 79.7 mt -88.72 152.68 21.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.976 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.612 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -66.48 154.54 90.73 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.385 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -62.91 -8.23 13.29 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.685 2.257 . . . . 0.0 113.667 -175.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.445 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -98.74 -20.98 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.136 0.493 . . . . 0.0 110.37 178.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.612 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.6 m-20 -84.17 -27.9 27.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.765 -176.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.631 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 72.8 mt -62.98 -58.74 14.94 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.35 -176.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 9.3 Cg_endo -52.62 -34.46 63.49 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 122.896 2.397 . . . . 0.0 112.718 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.558 HD23 ' HB2' ' A' ' 88' ' ' ALA . 5.9 mp -70.52 -39.11 74.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.798 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.724 HD12 ' HG ' ' A' ' 115' ' ' LEU . 2.2 tm? -72.56 -38.58 67.92 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.631 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 38.8 mt-10 -53.6 -42.69 67.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.768 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.427 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -80.63 -20.2 43.66 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.317 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -73.1 -46.81 49.18 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.2 ptm -69.46 -32.57 71.57 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.799 175.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -57.04 -41.24 78.27 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-O 120.868 0.365 . . . . 0.0 110.899 172.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.444 ' O ' ' HD3' ' A' ' 138' ' ' PRO . 3.2 mp -65.7 -43.64 88.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.691 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -72.52 -18.36 61.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.817 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -92.45 -37.43 12.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.625 0.25 . . . . 0.0 111.671 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -94.34 -13.36 26.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.302 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 137' ' ' ARG . 4.4 ptp180 41.07 91.32 0.06 OUTLIER Pre-proline 0 N--CA 1.474 0.729 0 O-C-N 124.512 1.133 . . . . 0.0 113.136 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 133' ' ' LEU . 32.0 Cg_exo -61.19 141.94 95.06 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.862 2.375 . . . . 0.0 112.255 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -147.76 106.47 3.81 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.996 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 23.2 t70 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.27 -0.872 . . . . 0.0 109.618 -178.56 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 111.704 -0.558 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -77.23 -28.93 5.35 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.312 2.008 . . . . 0.0 111.402 176.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 4' ' ' GLY . 6.8 tt -173.16 139.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.447 ' N ' HD23 ' A' ' 3' ' ' LEU . . . -63.74 101.39 0.46 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.019 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 p -58.41 106.8 0.42 Allowed 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.39 0.614 . . . . 0.0 110.901 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.522 ' HB3' HD13 ' A' ' 83' ' ' ILE . 68.8 mtm -86.47 85.31 7.31 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.917 -176.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -88.46 153.34 21.24 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 169.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 64.4 mtm -96.86 126.9 42.34 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.472 0.653 . . . . 0.0 110.593 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.594 ' HB ' HG23 ' A' ' 84' ' ' ILE . 23.0 mt -105.13 117.0 50.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.303 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -95.77 122.68 38.8 Favored 'General case' 0 C--N 1.306 -1.305 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.743 -178.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.604 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 93.1 t -124.7 124.85 68.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.442 ' CG2' ' HG ' ' A' ' 54' ' ' LEU . 2.5 m -99.16 131.3 46.69 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 CA-C-O 121.161 0.505 . . . . 0.0 110.368 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.55 129.05 55.6 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.716 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -101.11 113.59 26.75 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 121.166 0.507 . . . . 0.0 110.18 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.634 HG23 HG23 ' A' ' 22' ' ' ILE . 7.8 mt -88.89 99.66 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.216 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 176.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.78 HG13 HD23 ' A' ' 23' ' ' LEU . 2.2 mm -86.11 101.14 10.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -175.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.516 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 34.7 tt0 -103.22 113.28 26.64 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.882 -175.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 28.6 tpt180 -127.37 126.55 42.69 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.188 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 70.85 -0.71 2.91 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.722 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.35 -0.5 29.54 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.399 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 4.5 mtpt -111.64 155.74 22.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.715 0.293 . . . . 0.0 110.358 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.634 HG23 HG23 ' A' ' 15' ' ' ILE . 23.6 mt -104.5 146.91 11.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.302 -176.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.78 HD23 HG13 ' A' ' 16' ' ' ILE . 60.4 tp -88.96 119.85 29.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.318 -178.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.534 HD13 ' SG ' ' A' ' 109' ' ' CYS . 7.5 mp -114.02 137.66 51.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.861 177.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.36 120.36 37.93 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.107 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -69.0 117.51 10.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.164 0.507 . . . . 0.0 111.54 -177.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.463 ' HD3' ' OE1' ' A' ' 38' ' ' GLU . 37.3 ttt180 -175.19 127.79 0.4 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 114.663 -1.153 . . . . 0.0 108.86 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.715 ' HG3' ' HA ' ' A' ' 34' ' ' ALA . 10.5 Cg_endo -87.49 -80.79 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 122.352 2.035 . . . . 0.0 112.322 177.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 28' ' ' PRO . . . 168.8 -82.18 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.695 0.798 . . . . 0.0 109.332 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -111.73 -17.13 13.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.504 177.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.43 ' O ' ' HG2' ' A' ' 28' ' ' PRO . 15.1 m -71.24 128.63 36.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.69 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -91.83 6.17 47.12 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.385 0.612 . . . . 0.0 109.927 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -75.95 -25.0 55.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.513 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.715 ' HA ' ' HG3' ' A' ' 28' ' ' PRO . . . 56.16 -160.12 0.21 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.797 178.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.16 -28.7 5.98 Favored Glycine 0 N--CA 1.452 -0.239 0 CA-C-N 116.053 -0.521 . . . . 0.0 113.282 175.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.483 HD12 ' HB3' ' A' ' 28' ' ' PRO . 13.1 mt -76.53 148.31 37.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.806 0.336 . . . . 0.0 111.424 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.403 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 65.0 m95 -113.95 147.64 38.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.156 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.463 ' OE1' ' HD3' ' A' ' 27' ' ' ARG . 6.2 pt-20 -134.64 164.47 27.42 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -89.91 141.25 28.82 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.51 152.06 44.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.658 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.63 -145.39 11.03 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.033 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.79 177.7 38.78 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.379 -178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.5 ' HG2' ' N ' ' A' ' 44' ' ' VAL . 75.3 tttt -78.08 153.74 31.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.975 0.416 . . . . 0.0 110.765 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.5 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 47.0 t -109.4 126.76 66.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.793 176.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 9.1 tp10 -86.54 127.92 58.84 Favored Pre-proline 0 C--N 1.318 -0.803 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 169.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.512 ' HD2' ' OE2' ' A' ' 45' ' ' GLU . 8.7 Cg_endo -52.01 -15.53 3.45 Favored 'Trans proline' 0 CA--C 1.535 0.538 0 C-N-CA 123.073 2.515 . . . . 0.0 114.042 -175.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -79.05 -22.25 45.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.92 0.391 . . . . 0.0 111.186 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 13.8 pt-20 -108.26 163.97 12.72 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 177.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.4 m -87.08 154.29 20.87 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 -177.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -61.47 -41.01 96.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.295 -177.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.443 ' HB3' ' HB ' ' A' ' 68' ' ' VAL . 87.5 mtt180 -69.39 -33.32 72.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.917 0.389 . . . . 0.0 110.241 176.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -72.4 -40.79 66.94 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.468 -175.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -59.65 -43.84 93.74 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.422 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.716 HD22 ' HB2' ' A' ' 14' ' ' ALA . 15.8 mt -59.65 -44.05 93.68 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.001 0.429 . . . . 0.0 110.799 174.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 51' ' ' ARG . 34.3 t -60.51 -42.23 90.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.23 -177.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 53' ' ' ALA . 5.6 ppt_? -75.86 -42.88 48.15 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.109 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -60.25 -44.46 95.23 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 37.6 mt -68.3 -32.17 72.12 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.412 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.451 ' O ' ' HA2' ' A' ' 63' ' ' GLY . 32.2 ttt180 -63.41 -33.81 76.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.374 0.606 . . . . 0.0 110.57 178.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -89.04 -38.48 14.36 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.015 -176.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.604 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 63.9 mm-40 -85.65 -51.14 6.66 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.601 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.526 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 58.1 mt -94.52 -20.54 19.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.758 -174.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . 80.07 24.65 59.23 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.235 -0.983 . . . . 0.0 111.156 175.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.519 HD12 ' HB2' ' A' ' 94' ' ' PHE . 29.2 pt -124.86 146.31 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.397 0.618 . . . . 0.0 111.706 -176.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -90.23 98.58 11.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.091 174.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 94' ' ' PHE . . . -89.2 151.34 22.22 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.285 0.564 . . . . 0.0 112.183 -171.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.687 ' HB ' ' HB3' ' A' ' 93' ' ' ASP . 29.8 m -112.03 103.63 11.84 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.875 173.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.443 ' HB ' ' HB3' ' A' ' 51' ' ' ARG . 36.7 t -87.5 127.55 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.554 -175.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -125.19 -89.75 0.8 Allowed Glycine 0 CA--C 1.522 0.476 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.93 -172.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.563 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 5.9 pt-20 -91.41 133.82 35.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.557 0.694 . . . . 0.0 112.79 -169.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.638 ' OH ' ' HB2' ' A' ' 74' ' ' SER . 23.6 t80 -87.63 133.31 33.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.926 -1.033 . . . . 0.0 111.33 -174.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -94.26 -70.66 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.199 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -176.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -161.8 178.61 8.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.847 0.356 . . . . 0.0 111.672 -177.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.638 ' HB2' ' OH ' ' A' ' 71' ' ' TYR . 12.9 t -139.95 151.81 45.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.595 178.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -130.48 137.84 49.97 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -105.36 140.33 38.64 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.251 0.548 . . . . 0.0 111.276 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.474 ' HG3' HG13 ' A' ' 84' ' ' ILE . 19.3 ptt180 -155.86 175.12 14.36 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 176.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -119.05 151.64 37.88 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 119.639 -0.824 . . . . 0.0 111.692 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.67 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.7 p -123.34 95.03 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 170.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.5 p 46.2 70.84 0.34 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.872 -174.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.21 -23.08 5.56 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 121.176 -0.535 . . . . 0.0 114.21 176.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.406 ' HB2' HG13 ' A' ' 79' ' ' VAL . 85.5 mtt180 -92.36 130.81 37.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.356 -0.496 . . . . 0.0 110.574 -178.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.522 HD13 ' HB3' ' A' ' 6' ' ' MET . 1.9 mp -90.26 116.5 31.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.981 0.419 . . . . 0.0 110.384 -174.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.67 HD11 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -91.17 134.4 29.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.77 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.55 97.47 6.46 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.088 -0.96 . . . . 0.0 108.55 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.604 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 5.6 mp -89.59 117.72 28.69 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.783 -176.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.477 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . 90.7 m-70 -101.52 114.49 28.55 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.112 -178.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.32 113.56 25.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.957 0.408 . . . . 0.0 109.934 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.21 138.81 43.86 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.15 -178.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.563 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 15.1 t-160 -84.83 108.34 17.45 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.3 t -91.51 106.02 15.12 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.815 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.497 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 70.9 Cg_endo -89.73 -14.07 2.53 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 123.084 2.523 . . . . 0.0 113.216 -176.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.687 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 38.5 t70 -145.54 137.61 25.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.995 0.426 . . . . 0.0 111.566 -174.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.519 ' HB2' HD12 ' A' ' 64' ' ' ILE . 49.9 p90 -149.72 143.47 25.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.815 177.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -119.19 120.69 37.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.564 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 128.54 -163.25 22.07 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.027 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.6 m -118.5 115.27 24.26 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.788 HD12 HD23 ' A' ' 106' ' ' LEU . 0.2 OUTLIER -68.53 126.18 28.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.051 -175.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.526 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.2 pt20 -128.92 163.05 26.13 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.495 -176.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.57 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -106.61 100.22 9.75 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.098 177.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.403 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 34.8 t-80 -80.03 -74.39 0.31 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.858 178.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.604 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 5.5 mm-40 -82.93 -2.64 55.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.553 0.692 . . . . 0.0 110.719 178.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -111.07 161.06 16.29 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.033 -0.985 . . . . 0.0 108.446 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -96.65 -52.06 4.07 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.183 -176.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.99 159.44 24.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.206 -177.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.788 HD23 HD12 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -135.96 125.15 24.57 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.125 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.9 p -134.55 147.22 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.026 0.441 . . . . 0.0 111.726 -176.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 2.1 m0 -102.92 113.32 26.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.986 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.534 ' SG ' HD13 ' A' ' 24' ' ' LEU . 26.0 p -132.95 153.64 51.23 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 175.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.581 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 7.0 m -71.87 163.62 65.21 Favored Pre-proline 0 C--N 1.317 -0.821 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.087 -174.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.581 ' HD2' ' HB3' ' A' ' 110' ' ' SER . 6.4 Cg_endo -48.16 -55.31 4.15 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.28 2.653 . . . . 0.0 113.966 -175.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -69.19 -29.87 67.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.985 0.421 . . . . 0.0 110.298 -177.179 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.401 ' O ' ' HD1' ' A' ' 117' ' ' TYR . 5.4 mm-40 -65.71 -42.68 90.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.503 176.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.37 -44.28 97.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.693 -176.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.663 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -73.13 -16.21 61.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.958 0.409 . . . . 0.0 110.565 -176.587 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -88.77 2.74 52.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.098 0.475 . . . . 0.0 110.746 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.401 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 8.9 m-85 -98.34 161.29 25.81 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.554 172.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.11 87.53 0.6 Allowed 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 121.885 1.723 . . . . 0.0 112.115 176.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.448 HD12 HD22 ' A' ' 115' ' ' LEU . 67.6 mt -94.64 153.42 17.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.575 178.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.537 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -65.78 153.68 90.53 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.689 177.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.86 -21.33 32.73 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.539 2.826 . . . . 0.0 114.153 -175.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.474 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -91.47 -26.86 18.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.987 0.422 . . . . 0.0 110.968 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.537 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.9 m-20 -79.94 -27.08 39.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.795 -175.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.662 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 83.2 mt -61.4 -60.13 11.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.098 -177.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.457 ' HD3' ' HB ' ' A' ' 124' ' ' ILE . 27.2 Cg_endo -61.27 -27.34 83.25 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.442 2.095 . . . . 0.0 112.633 -176.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 94.4 mt -71.34 -42.22 68.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.253 0.549 . . . . 0.0 109.794 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.663 ' HB3' HD23 ' A' ' 115' ' ' LEU . 2.9 tm? -74.01 -35.9 64.44 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.563 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.662 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 36.3 mt-10 -54.9 -39.0 68.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 177.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.53 -29.05 41.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.889 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -67.99 -45.05 75.21 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -67.06 -33.44 75.51 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.606 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.76 83.48 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.718 0.294 . . . . 0.0 111.2 173.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.36 -46.24 87.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.993 0.425 . . . . 0.0 110.343 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -72.37 -22.17 61.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.109 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -84.43 -36.26 22.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.192 0.52 . . . . 0.0 110.704 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -85.69 -17.19 36.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.035 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 37.31 80.88 0.26 Allowed Pre-proline 0 N--CA 1.475 0.775 0 O-C-N 124.353 1.033 . . . . 0.0 112.105 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -71.11 113.65 3.66 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.809 2.339 . . . . 0.0 113.027 -174.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -91.72 89.87 7.29 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.435 173.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 14.7 t70 . . . . . 0 C--O 1.249 1.048 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.541 -174.683 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.935 -0.466 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -69.01 117.61 5.14 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.394 2.063 . . . . 0.0 112.291 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.9 mt -104.89 -1.48 25.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.133 0.492 . . . . 0.0 110.13 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.07 43.41 3.19 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.027 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 p -69.88 -46.6 65.13 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 21.7 ptp -78.2 144.84 35.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.503 175.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -108.07 133.77 51.9 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 175.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 88.5 mtp -99.23 130.74 45.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.285 0.564 . . . . 0.0 110.218 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.779 ' HB ' HG23 ' A' ' 84' ' ' ILE . 44.1 mt -105.37 110.95 32.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -95.13 122.87 38.25 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -173.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.447 ' HB ' ' HG ' ' A' ' 86' ' ' LEU . 82.5 t -122.48 135.29 63.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -177.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.445 ' CG2' ' HG ' ' A' ' 54' ' ' LEU . 3.4 m -105.85 131.56 55.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.056 175.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.0 128.74 55.94 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.975 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.509 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.28 108.38 19.72 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.256 -177.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.464 HG23 ' CG2' ' A' ' 22' ' ' ILE . 6.9 mt -93.41 98.87 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.905 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 177.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.887 HG12 HG21 ' A' ' 91' ' ' VAL . 18.3 mt -92.34 106.18 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -175.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.473 ' HB3' ' HE2' ' A' ' 90' ' ' HIS . 30.8 tt0 -112.99 129.67 56.41 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.617 -174.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -133.73 120.34 20.45 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 69.38 13.14 8.44 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.727 0.642 . . . . 0.0 111.723 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.6 6.24 54.92 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.141 -1.028 . . . . 0.0 112.5 -178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 12.2 mttp -115.79 142.77 46.31 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 176.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.527 HG21 ' HE1' ' A' ' 39' ' ' PHE . 32.6 mt -102.94 148.08 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.432 -175.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.582 HD11 ' HG ' ' A' ' 106' ' ' LEU . 40.9 tp -87.3 119.28 27.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.159 0.504 . . . . 0.0 111.162 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.0 mp -112.25 139.46 47.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.815 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 103' ' ' HIS . . . -120.42 117.99 29.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.084 0.468 . . . . 0.0 111.162 -179.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 23.6 tt0 -75.88 103.58 6.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.595 -177.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.639 ' CB ' ' HA ' ' A' ' 103' ' ' HIS . 13.6 tpt180 167.83 122.29 0.04 OUTLIER Pre-proline 0 C--O 1.223 -0.321 0 O-C-N 124.168 0.917 . . . . 0.0 108.923 175.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -87.8 -153.35 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.509 2.139 . . . . 0.0 111.522 177.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.09 -58.85 0.65 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.758 0.313 . . . . 0.0 111.39 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -93.53 -25.77 17.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.976 0.417 . . . . 0.0 110.955 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -75.59 -42.63 51.42 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.565 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 58.85 27.06 15.61 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.538 -176.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -112.89 130.88 55.95 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.97 158.01 24.03 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.445 -174.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.41 -29.92 7.3 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.154 177.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.438 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 6.1 mp -82.73 151.19 26.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.905 0.383 . . . . 0.0 111.279 176.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.412 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 45.9 m95 -118.65 152.49 35.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.649 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -147.38 166.63 26.58 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.527 ' HE1' HG21 ' A' ' 22' ' ' ILE . 96.6 m-85 -81.49 151.83 27.62 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 177.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.24 169.45 18.31 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.332 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 146.09 -142.05 10.2 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.865 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.46 ' HA3' ' HG3' ' A' ' 57' ' ' GLU . . . 170.63 175.9 39.63 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.095 -178.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -78.29 153.49 31.73 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.787 0.327 . . . . 0.0 110.572 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.51 109.53 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.811 ' HG3' ' HD2' ' A' ' 46' ' ' PRO . 2.8 tp10 -85.63 150.13 52.99 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.811 ' HD2' ' HG3' ' A' ' 45' ' ' GLU . 30.3 Cg_endo -64.0 11.54 0.1 Allowed 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 122.942 2.428 . . . . 0.0 114.198 -177.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 45' ' ' GLU . 5.9 m-20 -115.08 11.19 16.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.076 0.465 . . . . 0.0 110.58 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -145.6 171.07 15.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.936 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.1 t -105.5 163.57 12.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.832 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -58.71 -49.01 79.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.503 -176.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.482 ' O ' HG23 ' A' ' 55' ' ' VAL . 52.1 mtt180 -60.27 -39.68 87.71 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.422 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -68.95 -42.04 77.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.117 -176.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.96 -48.99 79.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.999 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.725 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 24.3 mt -59.62 -46.81 87.88 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 121.001 0.429 . . . . 0.0 110.698 178.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 51' ' ' ARG . 43.3 t -59.52 -49.75 82.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.409 -177.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.513 ' HG3' ' N ' ' A' ' 57' ' ' GLU . 8.0 ptt180 -68.58 -44.0 75.34 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.356 -176.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.513 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 5.7 mm-40 -63.16 -41.34 99.24 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.177 -0.209 . . . . 0.0 111.44 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.725 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 30.5 mt -69.83 -33.87 72.9 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 120.409 -0.516 . . . . 0.0 109.843 177.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.454 ' HD2' ' OE2' ' A' ' 65' ' ' GLU . 19.1 ttt180 -58.07 -37.35 74.29 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.447 174.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -88.43 -37.39 15.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.687 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 27.7 mm-40 -87.51 -50.47 6.51 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.676 0.251 . . . . 0.0 111.676 -178.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.656 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 39.5 mt -103.38 7.36 38.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.581 -171.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 47.22 37.11 10.68 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 115.191 0.837 . . . . 0.0 115.191 -177.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.471 HD12 ' HB2' ' A' ' 94' ' ' PHE . 35.5 pt -131.6 145.89 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 118.116 0.958 . . . . 0.0 112.122 178.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.585 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 20.2 mm-40 -90.72 104.07 16.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 172.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.707 ' HB1' ' HH2' ' A' ' 89' ' ' TRP . . . -86.15 149.37 25.17 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.07 0.462 . . . . 0.0 111.847 -174.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 89.1 m -107.05 104.29 13.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.363 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.623 ' HA ' ' CZ2' ' A' ' 89' ' ' TRP . 30.8 t -84.15 133.2 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.772 -0.195 . . . . 0.0 110.764 -175.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 174.11 63.93 0.05 OUTLIER Glycine 0 C--N 1.336 0.556 0 C-N-CA 119.738 -1.22 . . . . 0.0 114.729 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 162.62 105.48 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.777 0.831 . . . . 0.0 110.581 176.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.675 ' HE1' ' HB3' ' A' ' 87' ' ' HIS . 48.0 t80 -86.73 130.14 34.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.198 -176.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.485 HG13 HD22 ' A' ' 133' ' ' LEU . 87.8 t -95.79 -71.25 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.19 -178.99 7.49 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.562 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.536 ' HB3' ' OH ' ' A' ' 71' ' ' TYR . 9.6 p -144.09 153.78 42.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.814 0.34 . . . . 0.0 110.996 177.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -137.66 137.49 38.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.681 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -101.64 144.28 30.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.23 0.538 . . . . 0.0 111.47 176.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.613 ' HG3' HG13 ' A' ' 84' ' ' ILE . 27.1 ptt180 -153.94 174.13 15.04 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 171.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -124.13 151.57 43.79 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 119.629 -0.828 . . . . 0.0 111.214 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.607 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.7 p -121.67 94.39 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 173.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.4 m 48.51 70.03 0.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.747 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.61 -23.38 8.84 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 120.838 -0.696 . . . . 0.0 114.712 176.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -98.3 135.97 39.15 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 117.944 0.872 . . . . 0.0 110.94 -177.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.2 mp -93.39 113.16 27.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.932 0.396 . . . . 0.0 110.492 -172.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.779 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -90.98 135.51 26.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.27 178.023 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -124.06 100.61 6.81 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.976 -175.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.489 HD22 ' HB1' ' A' ' 122' ' ' ALA . 7.3 mp -88.21 130.15 35.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.509 -177.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.675 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . 35.3 m80 -109.63 114.16 27.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.689 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.67 120.89 31.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.045 0.45 . . . . 0.0 111.051 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.707 ' HH2' ' HB1' ' A' ' 66' ' ' ALA . 3.3 t90 -119.4 132.62 55.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.52 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.474 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 39.5 t-80 -85.03 127.07 34.05 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 176.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.887 HG21 HG12 ' A' ' 16' ' ' ILE . 41.9 t -87.82 109.9 30.76 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 120.694 0.283 . . . . 0.0 110.549 -174.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 55.7 Cg_endo -73.75 -35.43 4.51 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.762 2.308 . . . . 0.0 112.032 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -152.71 144.01 23.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.156 -175.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.471 ' HB2' HD12 ' A' ' 64' ' ' ILE . 41.1 p90 -143.52 134.6 25.63 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.273 177.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.585 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 56.2 t-80 -93.04 120.67 33.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.604 177.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.35 -156.72 15.46 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.312 176.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 89.1 m -128.11 139.12 52.69 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.564 HD13 ' H ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -76.86 125.28 29.03 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.49 0.662 . . . . 0.0 110.516 -174.563 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.656 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 20.9 pt20 -124.43 164.56 19.45 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.274 -0.875 . . . . 0.0 108.901 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.634 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -113.23 107.51 16.0 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.36 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.547 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 34.3 t-80 -86.08 -78.89 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.659 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.687 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 19.6 mm-40 -75.46 -42.83 52.24 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.298 0.571 . . . . 0.0 110.464 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.639 ' HA ' ' CB ' ' A' ' 27' ' ' ARG . 59.3 m80 -74.34 152.71 39.54 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -94.23 -70.89 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -170.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -98.14 154.06 18.01 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 121.224 -0.191 . . . . 0.0 110.674 -176.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.634 HD13 ' HB2' ' A' ' 100' ' ' ALA . 1.1 tp -131.45 127.14 36.8 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -178.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.2 p -133.7 146.34 32.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.863 0.364 . . . . 0.0 111.48 -178.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.426 ' CZ2' HD21 ' A' ' 98' ' ' LEU . 4.4 m-90 -105.29 119.36 38.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.774 170.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 26.0 p -137.94 156.19 48.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.807 0.336 . . . . 0.0 110.366 175.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.1 m -65.3 153.79 88.92 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.791 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.513 ' O ' HD11 ' A' ' 127' ' ' LEU . 1.6 Cg_endo -45.97 -52.93 6.36 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.372 2.715 . . . . 0.0 113.46 -176.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.33 -28.59 66.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.878 0.37 . . . . 0.0 110.928 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -71.78 -32.71 67.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.605 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.36 99.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.226 177.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.679 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -72.47 -15.36 61.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.022 -177.088 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -84.96 -5.41 59.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.034 0.445 . . . . 0.0 110.56 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -93.94 163.18 24.65 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.755 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.438 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 54.3 Cg_endo -72.06 77.69 1.93 Allowed 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.223 1.948 . . . . 0.0 112.188 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.512 HD12 HD22 ' A' ' 115' ' ' LEU . 72.3 mt -84.89 153.51 22.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.822 175.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.489 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -69.88 156.21 92.16 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.709 178.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.413 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 24.8 Cg_endo -61.32 -8.52 10.65 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.116 2.544 . . . . 0.0 113.327 -177.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.489 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -93.49 -33.36 13.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.871 0.367 . . . . 0.0 110.234 177.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.489 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 3.3 m-20 -81.9 -28.86 32.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.425 -173.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.595 HG23 HD11 ' A' ' 115' ' ' LEU . 93.7 mt -60.29 -57.27 27.89 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.681 -175.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 18.6 Cg_endo -61.39 -24.98 79.44 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.208 1.939 . . . . 0.0 112.719 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.1 mt -71.62 -41.11 69.27 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.074 0.464 . . . . 0.0 109.836 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.679 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.4 tm? -73.04 -39.53 65.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.072 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -53.92 -41.47 67.71 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.597 0.237 . . . . 0.0 111.076 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.427 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -81.43 -23.13 37.72 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.25 179.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.402 ' HE1' ' HB2' ' A' ' 90' ' ' HIS . 84.3 t80 -67.69 -48.6 66.12 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.0 ptm -71.83 -30.46 65.5 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.694 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -59.64 -40.97 89.38 Favored 'General case' 0 C--N 1.338 0.082 0 CA-C-O 120.838 0.351 . . . . 0.0 111.049 173.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.485 HD22 HG13 ' A' ' 72' ' ' VAL . 3.5 mp -64.64 -35.39 80.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -84.03 -23.41 30.93 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.569 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.14 -39.46 12.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.753 0.311 . . . . 0.0 111.175 -176.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -94.27 -33.92 13.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.071 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 65.21 105.73 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.253 0 O-C-N 123.799 0.687 . . . . 0.0 111.829 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.54 176.64 9.46 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.422 2.082 . . . . 0.0 111.168 173.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 70.68 -58.68 0.55 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.251 0.62 . . . . 0.0 111.329 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 26.9 t70 . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.886 -0.578 . . . . 0.0 109.976 178.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.44 ' HA2' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.765 -0.534 . . . . 0.0 111.765 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.44 ' HD3' ' HA2' ' A' ' 1' ' ' GLY . 12.5 Cg_exo -70.41 120.63 7.28 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.919 2.413 . . . . 0.0 112.773 -177.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.2 tp 61.55 -88.71 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.749 0.82 . . . . 0.0 112.034 178.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.93 -151.83 19.48 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 121.025 -0.607 . . . . 0.0 111.748 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 m -94.94 -21.62 18.51 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.327 0.584 . . . . 0.0 110.462 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -107.57 135.7 48.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.707 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -96.64 138.73 33.77 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 176.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.9 mtm -96.03 135.67 37.5 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.321 0.581 . . . . 0.0 110.484 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.678 ' HB ' HG23 ' A' ' 84' ' ' ILE . 28.4 mt -104.89 106.88 21.3 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 176.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -90.5 123.98 34.63 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -174.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 57.6 t -127.22 125.22 65.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.406 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 2.9 m -98.86 131.86 45.26 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 177.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.28 130.16 56.83 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.594 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.54 114.3 28.39 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.145 0.498 . . . . 0.0 109.944 -178.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.502 HG23 HG23 ' A' ' 22' ' ' ILE . 5.5 mt -92.23 98.3 8.21 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.275 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 176.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.49 HD12 HD23 ' A' ' 23' ' ' LEU . 44.9 mt -89.94 103.4 14.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.461 -0.79 . . . . 0.0 108.904 -177.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 3.7 tm-20 -118.07 126.69 52.77 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.959 -173.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -139.66 130.99 26.76 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.852 -1.067 . . . . 0.0 108.472 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 68.86 14.57 8.92 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.601 0.563 . . . . 0.0 112.015 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.65 8.72 63.57 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.309 -0.948 . . . . 0.0 111.725 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.513 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 mmtp -118.61 138.54 52.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.699 0.285 . . . . 0.0 110.255 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.511 HG21 ' HE1' ' A' ' 39' ' ' PHE . 49.4 mt -104.11 149.61 7.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.322 -176.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 106' ' ' LEU . 33.3 tp -87.06 115.66 24.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.084 0.469 . . . . 0.0 111.066 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.445 HD23 HD21 ' A' ' 119' ' ' LEU . 5.9 mp -111.06 135.4 51.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.367 176.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.23 122.45 43.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.698 0.285 . . . . 0.0 110.964 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -69.78 120.41 15.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.497 -177.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.795 ' HD2' ' H ' ' A' ' 29' ' ' ALA . 3.6 tmm_? -179.09 130.07 0.26 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.233 -0.894 . . . . 0.0 108.79 178.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.635 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 59.5 Cg_endo -84.18 -20.47 4.2 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.554 2.169 . . . . 0.0 113.249 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.795 ' H ' ' HD2' ' A' ' 27' ' ' ARG . . . 80.9 -74.94 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 113.887 -1.506 . . . . 0.0 111.89 176.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -116.04 6.55 14.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.928 0.394 . . . . 0.0 111.156 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.635 ' HB2' ' HB2' ' A' ' 28' ' ' PRO . 66.9 m -103.85 149.49 25.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.976 0.417 . . . . 0.0 111.292 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -79.06 -31.11 44.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.247 175.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.508 ' HG2' ' HB3' ' A' ' 31' ' ' SER . 18.0 pt20 -67.87 132.1 46.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.5 177.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.84 171.7 7.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.01 -177.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.61 -20.3 22.86 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.578 178.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' A' ' 118' ' ' PRO . 2.3 mm? -74.57 147.13 41.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.918 0.39 . . . . 0.0 111.293 -177.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.512 ' HD1' ' HG2' ' A' ' 118' ' ' PRO . 65.7 m95 -113.71 145.02 41.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.763 177.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -139.78 155.73 47.14 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.511 ' HE1' HG21 ' A' ' 22' ' ' ILE . 93.0 m-85 -73.74 138.1 44.4 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 175.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.13 154.13 42.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.895 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 161.74 -133.63 3.22 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.406 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.73 174.32 36.59 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.134 -1.031 . . . . 0.0 113.314 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.5 tttm -77.87 149.8 34.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.958 0.409 . . . . 0.0 110.548 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.42 HG21 HE21 ' A' ' 50' ' ' GLN . 44.0 t -101.81 141.36 18.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.465 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.551 ' HG3' ' HD2' ' A' ' 46' ' ' PRO . 4.2 tp10 -110.0 148.29 37.98 Favored Pre-proline 0 C--N 1.319 -0.73 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.551 ' HD2' ' HG3' ' A' ' 45' ' ' GLU . 30.7 Cg_endo -64.78 10.81 0.13 Allowed 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 122.607 2.205 . . . . 0.0 112.631 174.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 45' ' ' GLU . 10.6 t70 -98.54 -18.65 18.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.553 0.692 . . . . 0.0 109.869 178.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -129.69 164.81 23.14 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.675 -173.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.7 m -88.56 157.21 18.68 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.42 HE21 HG21 ' A' ' 44' ' ' VAL . 10.1 mt-30 -67.9 -33.91 75.61 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.458 -174.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -70.12 -38.01 75.46 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -65.03 -37.63 88.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.83 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.13 -46.45 90.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.575 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.666 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 23.7 mt -61.89 -46.72 88.16 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.49 177.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.5 t -56.94 -49.86 77.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.046 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.562 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.1 ppt_? -70.04 -43.69 70.77 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.414 -178.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.71 -46.59 89.03 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 38.9 mt -66.4 -33.58 76.04 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.325 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -64.48 -33.43 75.88 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.845 0.355 . . . . 0.0 111.055 175.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.562 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 22.8 mt-10 -87.02 -34.91 19.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.395 -178.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.611 ' CD ' ' HB2' ' A' ' 102' ' ' GLU . 2.2 mt-10 -87.31 -53.76 4.66 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 178.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.781 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 34.8 mt -101.25 6.03 42.75 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.255 -168.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.79 24.48 33.48 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 121.118 -0.563 . . . . 0.0 114.052 -176.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.585 HG12 ' HB2' ' A' ' 62' ' ' LEU . 46.5 pt -126.15 135.72 62.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 117.619 0.71 . . . . 0.0 111.537 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.538 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 32.4 mt-10 -94.16 98.5 11.01 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 176.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.89 157.09 27.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.495 -171.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.452 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 56.9 m -107.42 105.95 16.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.278 -0.873 . . . . 0.0 108.66 174.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.0 t -79.33 129.5 37.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -137.51 -85.74 0.16 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.509 -0.853 . . . . 0.0 113.378 -177.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.61 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 5.8 pt-20 -88.56 126.06 35.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.775 0.798 . . . . 0.0 113.129 -169.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.414 ' HD1' ' CE2' ' A' ' 89' ' ' TRP . 14.1 t80 -77.74 132.15 37.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.793 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.8 t -97.04 -70.86 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.6 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -161.68 -177.15 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.837 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.9 m -149.18 156.16 41.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.737 0.303 . . . . 0.0 111.048 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -141.0 145.1 35.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.498 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -109.8 142.37 41.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.259 175.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.671 ' HG3' HG13 ' A' ' 84' ' ' ILE . 27.4 ptt180 -151.8 173.77 14.36 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 172.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -124.63 151.71 44.53 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 119.3 -0.96 . . . . 0.0 112.147 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.504 ' HB ' HD11 ' A' ' 84' ' ' ILE . 3.2 p -124.19 94.76 2.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 114.812 -1.086 . . . . 0.0 108.63 172.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.0 m 51.87 66.64 1.14 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.848 -177.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.84 -20.54 6.35 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 120.724 -0.75 . . . . 0.0 114.246 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.433 ' HB2' HG13 ' A' ' 79' ' ' VAL . 90.5 mtt180 -92.36 132.32 36.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.458 0.629 . . . . 0.0 109.986 -178.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mp -92.57 113.94 28.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.704 0.288 . . . . 0.0 110.471 -174.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.678 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -89.7 129.92 39.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.361 0.601 . . . . 0.0 109.951 177.458 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -119.12 99.5 6.76 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.81 -173.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.585 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.1 mp -91.38 127.78 36.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.61 -176.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -112.01 116.33 30.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.668 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.31 116.43 28.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.066 0.46 . . . . 0.0 111.246 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.414 ' CE2' ' HD1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -108.11 142.27 38.57 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.054 176.007 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.61 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 10.5 t-160 -91.69 120.69 32.67 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.3 t -90.25 112.42 52.55 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.277 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.452 ' HD2' ' O ' ' A' ' 67' ' ' THR . 61.4 Cg_endo -75.93 -30.73 5.64 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.906 2.404 . . . . 0.0 112.697 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -158.57 152.27 23.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.053 -176.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.458 ' HB2' ' HB ' ' A' ' 64' ' ' ILE . 34.6 p90 -140.39 139.41 35.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.332 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.538 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 18.9 t60 -91.1 119.69 31.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.302 175.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.99 -164.54 12.23 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.624 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.6 m -122.55 126.24 47.36 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.589 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -76.2 124.06 26.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.986 0.898 . . . . 0.0 111.979 -171.417 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.781 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 10.4 pt20 -135.57 167.43 21.11 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.469 -1.241 . . . . 0.0 109.327 -177.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -105.64 126.43 52.14 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.07 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.574 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 68.7 t60 -113.93 -62.67 1.56 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.49 177.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.611 ' HB2' ' CD ' ' A' ' 61' ' ' GLU . 14.3 mm-40 -81.99 -33.08 30.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.267 0.556 . . . . 0.0 109.724 177.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -87.63 171.84 10.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.455 173.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.427 HE21 ' HB2' ' A' ' 104' ' ' GLN . 6.8 tt0 -96.48 -67.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -174.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -124.26 162.67 23.23 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.253 -0.179 . . . . 0.0 110.922 -177.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.521 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.8 mm? -120.08 138.53 53.49 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.1 p -131.42 135.43 59.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 171.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.49 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 1.4 p90 -107.41 115.06 29.49 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.505 0.669 . . . . 0.0 110.194 176.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.42 ' SG ' HD13 ' A' ' 24' ' ' LEU . 12.0 p -145.04 156.72 44.09 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.884 -175.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 p -72.22 160.59 82.33 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -175.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.535 ' O ' HD11 ' A' ' 127' ' ' LEU . 7.1 Cg_endo -50.15 -41.29 50.0 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 123.006 2.47 . . . . 0.0 113.239 -178.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.07 -37.76 88.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.359 . . . . 0.0 110.826 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.44 ' O ' ' HD1' ' A' ' 117' ' ' TYR . 14.0 mm-40 -72.34 -41.59 66.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.75 178.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.22 -37.75 75.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.755 -173.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.649 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -75.81 -9.91 58.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.695 0.283 . . . . 0.0 111.438 -177.143 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -95.85 1.43 53.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.141 0.496 . . . . 0.0 110.419 174.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.44 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 25.6 m-85 -91.66 158.21 40.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.269 173.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.512 ' HG2' ' HD1' ' A' ' 37' ' ' TRP . 42.0 Cg_endo -69.14 75.32 0.96 Allowed 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.254 1.969 . . . . 0.0 112.229 176.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.453 ' HB3' ' HB2' ' A' ' 123' ' ' ASP . 65.2 mt -81.06 152.59 27.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.089 176.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.542 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -69.95 158.91 86.11 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.52 177.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.464 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 14.1 Cg_endo -57.19 -15.4 18.17 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.181 2.587 . . . . 0.0 113.278 -178.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.529 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -93.05 -28.63 16.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.82 0.343 . . . . 0.0 110.807 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.542 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 2.2 m-20 -82.2 -28.33 32.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.292 -174.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.44 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 79.6 mt -60.41 -58.42 19.49 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.976 -176.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.44 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 20.2 Cg_endo -60.67 -27.91 85.64 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.557 2.171 . . . . 0.0 112.801 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 90.0 mt -70.79 -43.89 67.75 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.19 0.519 . . . . 0.0 109.869 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.649 ' HB3' HD23 ' A' ' 115' ' ' LEU . 2.8 tm? -73.55 -36.38 65.62 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.843 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -55.24 -41.8 72.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 0.0 110.833 176.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.75 -26.56 49.96 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.472 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -67.64 -44.57 77.62 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 15.6 ptp -67.15 -38.25 85.18 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -55.17 -43.73 74.58 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.145 0.498 . . . . 0.0 111.159 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 137' ' ' ARG . 2.8 mp -63.91 -33.48 75.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.644 -177.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 134' ' ' ARG . 29.4 mtp180 -93.06 -20.86 20.13 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -176.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -95.44 -40.48 9.46 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.384 -178.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -93.32 -38.2 11.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.295 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 133' ' ' LEU . 46.2 ttp180 65.17 104.99 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.257 0 O-C-N 123.92 0.763 . . . . 0.0 111.474 179.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -74.81 160.63 40.47 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.252 1.968 . . . . 0.0 111.789 177.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . 67.67 28.7 7.26 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.731 0.644 . . . . 0.0 110.668 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.153 179.885 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.43 ' HA3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.43 ' HD3' ' HA3' ' A' ' 1' ' ' GLY . 7.9 Cg_exo -72.09 100.34 1.09 Allowed 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.554 2.17 . . . . 0.0 111.605 175.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.3 tp -83.96 100.44 11.04 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.84 156.85 10.23 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -175.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 p -71.01 -31.41 67.91 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.863 0.332 . . . . 0.0 111.57 -175.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.523 ' HB2' HD13 ' A' ' 83' ' ' ILE . 25.7 ptt? -145.91 133.25 20.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.233 0.539 . . . . 0.0 112.142 -173.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -104.91 151.2 24.16 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 168.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.1 mtp -102.97 138.2 40.16 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.797 0.808 . . . . 0.0 112.123 -175.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.677 ' HB ' HG23 ' A' ' 84' ' ' ILE . 35.2 mt -112.99 112.81 42.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 114.297 -1.32 . . . . 0.0 108.434 176.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -98.18 122.21 41.05 Favored 'General case' 0 C--N 1.31 -1.135 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.934 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.656 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 93.1 t -124.09 121.64 62.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -175.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.44 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -99.13 133.58 41.31 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.307 -179.497 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.59 126.31 54.05 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.616 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.99 119.17 38.37 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.204 0.526 . . . . 0.0 110.158 -177.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.461 HG23 ' CG2' ' A' ' 22' ' ' ILE . 5.6 mt -89.55 101.82 12.49 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.634 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 3.1 mm -83.32 107.43 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -177.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 18.0 tt0 -113.26 112.09 23.15 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.369 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.409 ' HG3' ' OD1' ' A' ' 19' ' ' ASP . 5.2 tpm_? -126.6 118.69 25.34 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' OD1' ' HG3' ' A' ' 18' ' ' ARG . 4.4 m-20 69.77 20.96 6.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.914 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.26 3.52 69.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.341 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 8.2 mttp -114.59 144.22 43.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.746 0.308 . . . . 0.0 110.857 -179.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.634 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 19.8 mt -103.55 145.11 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.537 -174.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.88 ' HG ' HD22 ' A' ' 106' ' ' LEU . 18.5 tp -86.03 110.11 19.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.977 -177.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.657 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 29.2 mt -103.83 135.32 45.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.943 175.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.707 ' HB1' ' HB3' ' A' ' 103' ' ' HIS . . . -116.32 128.7 55.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.68 0.276 . . . . 0.0 111.592 -178.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -69.36 99.01 1.14 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.117 176.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.423 ' HB2' ' HA ' ' A' ' 103' ' ' HIS . 16.1 tpt180 -177.48 102.53 0.22 Allowed Pre-proline 0 C--O 1.22 -0.453 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.067 178.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.649 ' HG3' HD23 ' A' ' 36' ' ' LEU . 18.9 Cg_endo -100.2 -153.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.294 0 C-N-CA 122.204 1.936 . . . . 0.0 111.358 172.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -169.19 -48.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.53 0.681 . . . . 0.0 111.176 -176.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -102.61 15.3 29.65 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.857 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -106.56 -175.22 2.73 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.643 -174.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -74.94 -5.89 46.25 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.096 0.474 . . . . 0.0 110.294 173.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.49 ' HA ' ' CG ' ' A' ' 28' ' ' PRO . 10.1 mm100 73.04 162.35 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.556 -1.202 . . . . 0.0 112.195 170.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.79 101.96 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.511 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.77 -23.3 11.97 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.324 -0.941 . . . . 0.0 113.486 174.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.649 HD23 ' HG3' ' A' ' 28' ' ' PRO . 1.5 mm? -75.49 146.4 40.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 117.584 0.692 . . . . 0.0 110.709 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.657 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 30.6 m95 -118.51 154.06 33.15 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.4 ' OE2' ' ND1' ' A' ' 103' ' ' HIS . 17.3 pt-20 -138.69 172.24 13.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.534 -176.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.561 ' HE1' HG21 ' A' ' 22' ' ' ILE . 97.7 m-85 -90.35 119.08 30.35 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 168.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.71 148.74 23.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.657 -176.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.06 -129.94 1.97 Allowed Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.496 ' HA3' ' OE2' ' A' ' 57' ' ' GLU . . . 160.21 -149.64 19.2 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.637 178.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -113.09 149.82 32.95 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.95 0.405 . . . . 0.0 110.436 -174.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.6 t -95.47 117.81 40.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.972 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.581 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 22.7 mm-40 -79.87 146.55 64.33 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 175.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.21 -5.97 10.61 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.433 2.089 . . . . 0.0 112.114 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -93.34 -16.56 24.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.361 0.6 . . . . 0.0 110.579 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.581 ' HG2' ' HB2' ' A' ' 45' ' ' GLU . 23.4 pt-20 -127.31 160.18 32.15 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.467 -172.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 m -81.56 165.4 21.17 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.908 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -63.34 -43.65 97.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.657 0.265 . . . . 0.0 111.176 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.474 ' O ' HG23 ' A' ' 55' ' ' VAL . 54.1 mtm180 -70.04 -34.01 72.69 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -66.56 -41.65 88.29 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -57.77 -51.06 71.12 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.208 177.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.715 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 20.3 mt -58.26 -46.98 85.01 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 111.176 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 51' ' ' ARG . 54.8 t -58.31 -44.02 87.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.122 -177.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.611 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 8.3 ppt_? -78.0 -40.12 40.09 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.149 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.496 ' OE2' ' HA3' ' A' ' 42' ' ' GLY . 6.5 mm-40 -57.02 -45.6 82.99 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.956 0.408 . . . . 0.0 110.852 176.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 37.9 mt -70.4 -30.71 67.67 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.252 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 59' ' ' ARG . 23.1 ttt180 -62.71 -38.21 89.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.029 0.442 . . . . 0.0 110.512 173.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.611 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 26.6 mt-10 -80.49 -43.55 20.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.58 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 5.7 mm-40 -92.12 -33.03 14.92 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -174.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.678 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 64.1 mt -114.26 4.34 15.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -174.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.41 27.92 26.7 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 114.542 0.577 . . . . 0.0 114.542 -175.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.451 HG23 ' HA ' ' A' ' 98' ' ' LEU . 46.3 pt -129.64 141.75 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-N 117.984 0.892 . . . . 0.0 111.088 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.598 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 33.7 mt-10 -93.26 96.93 10.29 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 171.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.409 ' O ' HG22 ' A' ' 55' ' ' VAL . . . -78.19 158.35 29.05 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.146 0.498 . . . . 0.0 111.373 -174.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.62 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 26.4 m -111.38 105.96 14.75 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.33 129.48 45.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -175.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.21 62.19 0.12 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 119.704 -1.236 . . . . 0.0 113.481 -176.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.596 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 12.9 pt-20 165.39 147.24 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.297 0.639 . . . . 0.0 110.299 -177.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -104.51 124.57 49.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.249 -171.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.426 HG13 ' HA ' ' A' ' 130' ' ' PHE . 91.9 t -94.5 -70.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.479 -0.489 . . . . 0.0 111.0 171.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.4 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . . . -163.34 173.5 13.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.182 178.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.8 m -136.12 148.76 48.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.127 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -139.7 133.5 30.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.008 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.518 ' HG2' ' HA ' ' A' ' 85' ' ' HIS . 24.3 mt-30 -115.27 144.51 43.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.382 0.61 . . . . 0.0 111.763 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -157.11 175.19 14.4 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -118.73 152.71 35.64 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.439 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.651 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.6 p -120.95 93.7 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 170.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.5 m 46.46 65.61 1.16 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.258 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.13 -23.19 22.31 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.972 -0.633 . . . . 0.0 113.935 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.531 ' HB2' HG13 ' A' ' 79' ' ' VAL . 48.5 mtt180 -93.64 130.06 39.7 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.194 -0.592 . . . . 0.0 110.251 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.523 HD13 ' HB2' ' A' ' 6' ' ' MET . 1.7 mp -90.06 115.78 30.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.087 0.47 . . . . 0.0 110.378 -176.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.677 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -92.19 130.59 41.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.81 -179.873 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.518 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 12.4 t-80 -114.32 101.29 9.03 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.421 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.656 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.1 mp -93.29 119.29 32.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.858 0.361 . . . . 0.0 110.409 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -111.63 115.29 28.9 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.58 113.19 24.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -106.38 149.94 26.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.413 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.596 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 16.2 t-80 -103.03 134.47 46.42 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 176.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.518 HG21 HD13 ' A' ' 16' ' ' ILE . 16.3 m -99.76 103.43 21.76 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-O 121.219 0.533 . . . . 0.0 111.088 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.62 ' HD2' ' O ' ' A' ' 67' ' ' THR . 20.6 Cg_endo -62.29 -21.92 73.35 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 123.223 2.615 . . . . 0.0 113.039 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -158.74 172.49 18.16 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.823 0.344 . . . . 0.0 111.147 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.59 166.12 33.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.37 178.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.598 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 17.1 t60 -126.42 119.36 27.06 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.12 -157.48 14.93 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.737 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.7 m -126.14 131.13 52.12 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.451 ' HA ' HG23 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -76.11 118.18 18.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.605 0.716 . . . . 0.0 111.456 -171.863 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.678 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 3.2 pt20 -125.68 166.3 17.02 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.613 -1.176 . . . . 0.0 108.993 -179.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.809 ' HB1' ' O ' ' A' ' 103' ' ' HIS . . . -109.52 116.1 31.15 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.204 -176.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.58 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 20.6 t-80 -91.33 -82.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.648 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.436 ' HG3' ' ND1' ' A' ' 101' ' ' HIS . 27.9 mt-10 -97.54 9.21 43.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.465 0.65 . . . . 0.0 111.54 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.809 ' O ' ' HB1' ' A' ' 100' ' ' ALA . 22.7 m-70 -120.83 105.6 10.87 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 175.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -58.67 -38.69 78.74 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -155.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.618 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -133.9 156.75 47.55 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.627 -175.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.88 HD22 ' HG ' ' A' ' 23' ' ' LEU . 68.5 mt -134.12 128.45 34.15 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.3 p -124.46 141.24 45.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 20.2 m-90 -99.0 110.09 22.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.092 0.472 . . . . 0.0 109.745 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.49 ' HB2' ' HB2' ' A' ' 113' ' ' GLU . 7.5 p -133.46 148.0 51.72 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.93 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.487 ' HB2' ' HD2' ' A' ' 111' ' ' PRO . 12.6 p -74.52 163.31 69.14 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -177.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.504 ' O ' HD11 ' A' ' 127' ' ' LEU . 3.1 Cg_endo -46.75 -43.37 23.59 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.973 2.449 . . . . 0.0 112.746 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.01 -40.61 82.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.174 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.49 ' HB2' ' HB2' ' A' ' 109' ' ' CYS . 30.4 mm-40 -70.69 -37.98 73.65 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.67 0.271 . . . . 0.0 110.877 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.87 85.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.9 -176.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.596 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -71.67 -15.98 62.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.593 -176.17 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -82.98 -11.32 58.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.005 0.431 . . . . 0.0 110.706 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -86.89 164.19 37.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.024 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.569 ' HB2' HD12 ' A' ' 36' ' ' LEU . 58.9 Cg_endo -72.53 73.26 2.86 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.349 2.033 . . . . 0.0 112.321 178.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 72.4 mt -81.4 152.84 27.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.284 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.52 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -65.71 150.2 96.51 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 174.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.69 -12.73 22.7 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.784 2.323 . . . . 0.0 113.302 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.403 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -87.24 -25.52 23.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.888 0.375 . . . . 0.0 110.311 176.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.52 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.4 m-20 -85.38 -24.1 27.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.027 -174.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.552 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 45.9 mm -60.8 -58.13 21.48 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.116 -176.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 12.1 Cg_endo -57.66 -26.16 71.37 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 122.478 2.118 . . . . 0.0 112.632 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.6 mt -73.79 -39.42 64.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.334 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.596 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.2 tm? -76.82 -38.11 54.49 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 38.0 mt-10 -51.29 -42.42 61.12 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 176.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.483 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -82.66 -19.76 37.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.566 -178.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.426 ' HA ' HG13 ' A' ' 72' ' ' VAL . 90.3 t80 -70.16 -48.65 56.43 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.3 ptm -69.31 -33.02 72.52 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.424 177.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -61.3 -44.66 96.85 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.835 0.35 . . . . 0.0 111.144 174.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 mp -66.18 -33.93 76.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.982 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -83.08 -23.68 33.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.488 -178.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.51 -35.86 14.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.879 0.371 . . . . 0.0 111.059 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -94.01 -23.02 18.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.294 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.464 ' HA ' ' HD2' ' A' ' 138' ' ' PRO . 3.2 ptp180 43.96 105.29 0.02 OUTLIER Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 124.486 1.115 . . . . 0.0 113.127 -176.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 137' ' ' ARG . 23.5 Cg_endo -56.97 129.71 35.94 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.121 2.547 . . . . 0.0 112.546 -175.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -80.5 109.76 15.32 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.713 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 31.7 t70 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.549 -0.739 . . . . 0.0 109.986 -179.754 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -80.78 -9.61 13.19 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.755 2.304 . . . . 0.0 112.412 -176.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.41 ' O ' ' HG ' ' A' ' 3' ' ' LEU . 33.3 tp -120.9 22.78 10.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.51 0.672 . . . . 0.0 109.46 178.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.16 46.73 3.57 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.347 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m -106.15 118.27 36.2 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.24 128.61 36.48 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 177.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -85.48 147.51 26.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.349 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.3 mtp -101.7 127.42 48.46 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.276 0.56 . . . . 0.0 110.035 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.801 ' HB ' HG23 ' A' ' 84' ' ' ILE . 55.1 mt -108.63 116.26 51.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.09 -176.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -94.04 122.3 36.41 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.562 ' HB ' ' HG ' ' A' ' 86' ' ' LEU . 97.1 t -124.36 136.83 59.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.407 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 2.7 m -110.59 134.99 51.05 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-O 120.951 0.405 . . . . 0.0 110.156 176.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.63 133.43 55.86 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.521 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.5 118.39 36.76 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.052 0.453 . . . . 0.0 110.663 -177.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.427 HG23 ' CG2' ' A' ' 22' ' ' ILE . 4.6 mt -95.85 99.99 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.161 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 176.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.609 HD12 HD23 ' A' ' 23' ' ' LEU . 30.3 mt -88.47 102.04 12.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.092 -176.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 19.0 tt0 -106.66 111.8 24.5 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -176.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -119.75 113.66 20.96 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.303 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 61.65 31.52 18.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.751 -178.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.408 ' HA2' ' NH2' ' A' ' 134' ' ' ARG . . . 89.14 9.35 67.58 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.156 -1.021 . . . . 0.0 112.874 177.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 9.6 mttp -121.3 141.08 51.26 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.623 -0.34 . . . . 0.0 110.149 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.483 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 21.6 mt -102.98 147.88 8.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -176.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.609 HD23 HD12 ' A' ' 16' ' ' ILE . 40.7 tp -90.19 121.59 32.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.27 0.557 . . . . 0.0 111.062 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.521 ' HG ' ' HE1' ' A' ' 39' ' ' PHE . 7.2 mp -112.13 136.69 51.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.085 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.83 115.46 25.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.992 0.425 . . . . 0.0 110.521 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 37' ' ' TRP . 35.7 tt0 -71.42 117.84 13.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.018 -175.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.493 ' HB2' ' HA ' ' A' ' 103' ' ' HIS . 13.8 tpp180 -176.07 108.8 0.25 Allowed Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.593 173.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.858 ' HG3' ' HA ' ' A' ' 34' ' ' ALA . 73.5 Cg_endo -77.09 -29.49 5.08 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.545 2.163 . . . . 0.0 112.04 176.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 71.44 -69.41 0.19 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.433 -1.258 . . . . 0.0 112.062 176.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -90.74 6.35 44.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.795 0.331 . . . . 0.0 111.437 -175.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.556 ' HB2' ' HB2' ' A' ' 28' ' ' PRO . 21.2 m -125.41 132.8 52.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -85.9 5.79 31.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.179 0.514 . . . . 0.0 110.907 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -78.5 -26.27 45.88 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.749 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.858 ' HA ' ' HG3' ' A' ' 28' ' ' PRO . . . 58.51 -168.27 0.14 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.834 -175.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.46 -28.72 5.63 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.883 -0.675 . . . . 0.0 113.971 174.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.535 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 5.8 mp -75.48 146.48 40.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.021 0.438 . . . . 0.0 111.476 -177.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 59.5 m95 -112.74 151.31 30.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.962 -178.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -140.17 150.21 43.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.105 173.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.521 ' HE1' ' HG ' ' A' ' 24' ' ' LEU . 10.1 m-30 -77.83 129.85 35.94 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 172.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.55 158.54 29.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.212 0.529 . . . . 0.0 111.868 -172.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.98 -141.84 7.26 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -177.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.25 174.82 38.05 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.701 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -78.88 151.85 31.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.9 0.381 . . . . 0.0 110.235 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.1 t -98.66 131.72 45.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.533 ' HG3' ' HD2' ' A' ' 46' ' ' PRO . 3.4 tp10 -93.64 143.14 26.09 Favored Pre-proline 0 C--N 1.316 -0.856 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 173.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.533 ' HD2' ' HG3' ' A' ' 45' ' ' GLU . 37.5 Cg_endo -66.18 14.67 0.11 Allowed 'Trans proline' 0 N--CA 1.478 0.605 0 C-N-CA 123.013 2.475 . . . . 0.0 113.513 -177.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' A' ' 45' ' ' GLU . 15.8 t70 -109.92 -15.76 14.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.357 0.598 . . . . 0.0 110.881 176.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 18.0 pt-20 -118.7 171.65 8.05 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.996 -174.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.9 t -90.26 156.89 17.97 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -65.73 -43.26 89.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.154 -175.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.452 ' HB3' ' HB ' ' A' ' 68' ' ' VAL . 42.9 mtm180 -72.34 -27.68 62.57 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.444 177.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -69.13 -38.2 78.72 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.37 -42.89 99.44 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.445 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.659 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 31.6 mt -62.69 -46.86 86.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.038 0.447 . . . . 0.0 110.815 176.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.1 t -58.96 -43.25 88.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.431 -177.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 57' ' ' GLU . 14.7 ptt85 -73.33 -44.8 58.2 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.958 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 4.9 mm-40 -61.26 -43.07 99.48 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -177.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 55.4 mt -68.21 -32.45 72.67 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.583 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -65.82 -35.46 80.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.233 0.539 . . . . 0.0 110.939 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -86.75 -34.15 19.72 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.119 -176.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.626 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 67.8 mm-40 -88.22 -52.01 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.586 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 49.9 mt -102.17 5.77 40.43 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -171.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 55.76 22.29 32.81 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 114.591 0.596 . . . . 0.0 114.591 -176.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.526 HG21 HD23 ' A' ' 98' ' ' LEU . 38.2 pt -122.93 142.12 40.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 117.91 0.855 . . . . 0.0 112.245 -177.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 29.4 mt-10 -89.68 103.3 15.96 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.623 174.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.86 153.35 18.3 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.073 0.463 . . . . 0.0 111.685 -174.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.601 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 30.3 m -114.73 104.39 11.92 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.03 174.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.579 ' HA ' HG12 ' A' ' 91' ' ' VAL . 12.0 t -85.14 126.81 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.439 -174.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -128.43 -84.96 0.45 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.096 -1.049 . . . . 0.0 113.715 -173.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.62 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 7.9 pt-20 -84.07 130.39 34.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.578 0.704 . . . . 0.0 112.061 -169.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -79.15 131.74 36.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.368 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.414 HG13 HD22 ' A' ' 133' ' ' LEU . 92.7 t -97.56 -70.45 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 120.677 0.275 . . . . 0.0 111.292 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -162.19 178.41 8.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.536 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.7 t -144.44 152.39 40.57 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -135.46 139.27 43.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.755 0.312 . . . . 0.0 110.603 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -101.16 140.36 35.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.387 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.528 ' HG3' HG13 ' A' ' 84' ' ' ILE . 5.5 ptm180 -158.41 175.48 13.65 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 174.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 6.9 pt-20 -118.73 150.41 39.82 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.062 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.674 ' HB ' HD11 ' A' ' 84' ' ' ILE . 3.2 p -120.51 94.43 3.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.432 -0.804 . . . . 0.0 108.847 170.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m 49.19 60.75 3.53 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.928 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.91 -12.28 67.94 Favored Glycine 0 CA--C 1.522 0.496 0 C-N-CA 120.653 -0.784 . . . . 0.0 114.296 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.497 ' HB2' HG13 ' A' ' 79' ' ' VAL . 83.9 mtt180 -102.95 134.28 46.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.69 0.745 . . . . 0.0 110.312 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mp -93.37 110.41 23.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.079 0.466 . . . . 0.0 110.815 -174.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.801 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -94.22 141.55 14.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.462 0.649 . . . . 0.0 111.712 -179.673 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -123.72 98.59 5.89 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.178 176.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.562 ' HG ' ' HB ' ' A' ' 11' ' ' VAL . 6.7 mp -90.09 127.67 36.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.043 -175.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -108.11 116.22 31.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.989 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.08 113.58 25.57 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.968 0.413 . . . . 0.0 110.342 177.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.75 138.66 49.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.784 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.62 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 6.6 t60 -88.4 115.76 26.14 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.579 HG12 ' HA ' ' A' ' 68' ' ' VAL . 16.2 m -94.16 108.5 36.18 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 121.082 0.467 . . . . 0.0 110.24 176.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.601 ' HD2' ' O ' ' A' ' 67' ' ' THR . 72.2 Cg_endo -77.65 -13.33 16.37 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.733 2.289 . . . . 0.0 112.681 -178.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.598 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 10.1 t70 -139.79 140.16 36.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.152 0.501 . . . . 0.0 111.058 -176.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.401 ' HB2' HD12 ' A' ' 64' ' ' ILE . 31.1 p90 -150.1 134.63 17.42 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.28 176.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.42 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 43.1 t-80 -114.49 119.35 36.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.274 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.62 -169.11 23.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.435 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 26.6 m -116.98 124.07 48.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.962 0.41 . . . . 0.0 110.419 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.526 HD23 HG21 ' A' ' 64' ' ' ILE . 4.0 mt -57.19 123.98 17.19 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.452 -177.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.586 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.9 pt20 -140.79 156.21 46.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.347 177.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.488 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -107.06 101.46 10.88 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -77.92 -72.36 0.37 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.125 0.488 . . . . 0.0 110.582 173.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.626 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 1.8 mm-40 -85.29 11.14 10.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.294 0.569 . . . . 0.0 111.283 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.493 ' HA ' ' HB2' ' A' ' 27' ' ' ARG . 73.8 m80 -129.78 172.67 11.41 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.087 -174.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -99.88 -75.78 0.56 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.864 0.364 . . . . 0.0 111.191 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.2 158.22 23.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.62 -177.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.488 HD13 ' HB2' ' A' ' 100' ' ' ALA . 9.1 mp -123.7 137.76 54.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.085 178.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.9 p -135.0 147.28 29.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.079 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.429 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 36.0 p90 -113.51 116.56 29.76 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.429 175.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 26.2 p -139.73 156.98 46.49 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.487 -176.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.518 ' OG ' ' HD2' ' A' ' 111' ' ' PRO . 8.5 t -67.51 150.68 97.73 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -177.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.566 ' O ' HD11 ' A' ' 127' ' ' LEU . 1.3 Cg_endo -46.67 -48.87 13.08 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.664 2.909 . . . . 0.0 114.208 -175.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.77 -30.39 67.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.738 0.304 . . . . 0.0 110.278 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.45 ' HA ' ' NE2' ' A' ' 116' ' ' GLN . 16.9 mm-40 -67.25 -39.67 86.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.021 176.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.56 88.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.583 -179.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.575 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -71.99 -12.11 61.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.046 0.451 . . . . 0.0 110.68 -176.192 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.45 ' NE2' ' HA ' ' A' ' 113' ' ' GLU . 57.0 mt-30 -82.76 -14.96 53.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.347 175.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.446 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 40.1 m-85 -89.28 165.21 27.21 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.503 -177.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.535 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 43.5 Cg_endo -72.2 85.92 1.0 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 122.144 1.896 . . . . 0.0 111.554 177.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 72.0 mt -96.58 153.68 17.71 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.492 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 124' ' ' ILE . . . -64.37 151.66 90.62 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.909 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.09 -17.52 38.76 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.123 2.549 . . . . 0.0 113.205 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.515 ' HB2' ' HD2' ' A' ' 77' ' ' ARG . . . -95.67 -19.34 19.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.68 0.276 . . . . 0.0 110.796 177.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -84.5 -30.88 24.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.868 -175.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.537 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 76.8 mt -63.29 -57.36 20.83 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.613 -176.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 124' ' ' ILE . 12.3 Cg_endo -55.83 -30.86 78.64 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.56 2.174 . . . . 0.0 112.629 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 99.3 mt -72.25 -41.52 66.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.108 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.575 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.1 tm? -71.42 -39.4 71.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.154 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 27.2 mt-10 -53.98 -40.99 67.4 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-O 120.65 0.262 . . . . 0.0 111.013 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.23 -23.64 40.73 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.661 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.613 ' CE2' ' HD2' ' A' ' 134' ' ' ARG . 85.0 t80 -70.84 -46.44 62.71 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.4 ptm -65.52 -33.48 76.02 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.589 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.55 92.81 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.738 0.304 . . . . 0.0 111.091 173.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.414 HD22 HG13 ' A' ' 72' ' ' VAL . 3.3 mp -66.26 -40.47 90.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.43 -176.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.613 ' HD2' ' CE2' ' A' ' 130' ' ' PHE . 18.4 mtp-105 -75.22 -25.69 58.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.545 0.212 . . . . 0.0 111.341 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -87.22 -36.17 18.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.754 0.311 . . . . 0.0 111.266 -176.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -94.43 -31.73 13.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.903 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 70.96 117.87 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.284 0 O-C-N 124.104 0.878 . . . . 0.0 111.25 -177.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.09 154.55 52.42 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.68 2.253 . . . . 0.0 112.15 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.54 -36.52 84.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.069 0.462 . . . . 0.0 110.739 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.431 -0.795 . . . . 0.0 109.842 177.171 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.904 0 N-CA-C 111.746 -0.541 . . . . 0.0 111.746 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.78 -51.36 6.09 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.839 2.36 . . . . 0.0 112.256 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 mp -96.19 90.58 5.55 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.98 27.67 1.0 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.01 -175.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 p -82.41 -26.46 32.78 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.76 0.79 . . . . 0.0 109.57 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.613 ' HB3' HD13 ' A' ' 83' ' ' ILE . 57.9 mtm -90.77 130.4 36.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.921 176.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -100.2 142.98 30.94 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.2 mtp -104.5 126.41 51.57 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.646 0.736 . . . . 0.0 111.693 -175.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.555 ' HB ' HG23 ' A' ' 84' ' ' ILE . 26.1 mt -107.29 120.74 59.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.819 178.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -100.01 123.92 44.79 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -177.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 96.6 t -125.82 125.12 67.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.351 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.4 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 6.1 m -101.5 133.38 45.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.271 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.52 129.76 56.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.003 -179.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.601 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -103.05 113.88 27.71 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.053 0.454 . . . . 0.0 110.359 -177.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.535 HG23 HG23 ' A' ' 22' ' ' ILE . 5.7 mt -91.5 101.13 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.7 HG13 HD23 ' A' ' 23' ' ' LEU . 1.3 mm -85.83 102.02 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -179.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.607 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . 4.5 tm-20 -123.27 122.16 37.66 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.456 -175.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.988 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -151.69 146.57 25.88 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.175 -0.92 . . . . 0.0 108.969 175.548 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 73.72 0.98 3.8 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.787 0.679 . . . . 0.0 110.525 -176.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.19 6.11 55.76 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -176.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.56 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 24.8 mttt -121.17 147.15 45.98 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -175.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.555 HG21 ' HE1' ' A' ' 39' ' ' PHE . 8.8 mt -104.8 147.76 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.628 -177.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.862 HD11 ' HG ' ' A' ' 106' ' ' LEU . 40.2 tp -86.72 123.29 31.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.572 -178.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.617 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 58.5 mt -117.09 154.9 30.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.05 173.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.512 ' HA ' ' O ' ' A' ' 105' ' ' ALA . . . -131.01 123.2 28.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.994 0.426 . . . . 0.0 111.567 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.578 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 0.5 OUTLIER -88.35 101.37 13.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.535 178.57 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.92 ' HB3' ' HA ' ' A' ' 103' ' ' HIS . 0.5 OUTLIER 164.15 110.28 0.02 OUTLIER Pre-proline 0 N--CA 1.47 0.529 0 O-C-N 124.177 0.923 . . . . 0.0 110.218 172.315 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -85.19 -150.63 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.477 2.118 . . . . 0.0 110.677 175.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -145.1 -67.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.102 0.477 . . . . 0.0 111.238 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -104.29 17.6 23.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.415 -175.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.429 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 7.1 m -89.36 -23.69 22.15 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.961 -178.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 61.63 24.3 14.43 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.608 -177.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 31' ' ' SER . 63.0 mt-30 -121.8 179.39 4.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.326 -177.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.1 148.46 27.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.966 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.05 -25.06 11.83 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.537 -0.84 . . . . 0.0 112.793 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.597 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 6.3 mp -77.8 151.38 34.01 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.804 0.335 . . . . 0.0 111.38 -178.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.617 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 13.2 m95 -122.22 159.2 27.78 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 177.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.441 ' OE2' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -152.44 -178.08 6.61 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 178.543 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.555 ' HE1' HG21 ' A' ' 22' ' ' ILE . 98.8 m-85 -90.99 127.85 36.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 175.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.33 155.98 30.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 155.41 -130.52 2.82 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -177.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.02 178.6 32.21 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.54 177.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -79.87 151.8 29.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.39 -0.405 . . . . 0.0 110.113 178.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.0 t -99.14 128.39 50.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -177.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.555 ' HG3' ' HD2' ' A' ' 46' ' ' PRO . 4.0 tp10 -100.45 145.17 29.84 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 175.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.555 ' HD2' ' HG3' ' A' ' 45' ' ' GLU . 9.4 Cg_endo -52.8 -20.36 12.76 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.045 2.496 . . . . 0.0 113.173 -178.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -72.58 -20.61 61.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.774 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.406 ' OE1' ' HA ' ' A' ' 53' ' ' ALA . 12.5 pt-20 -126.98 152.11 47.64 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.113 0.483 . . . . 0.0 110.944 -174.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.4 t -83.82 169.25 15.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.652 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.437 ' HB3' ' HH2' ' A' ' 89' ' ' TRP . 96.0 mt-30 -59.05 -51.81 68.46 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -175.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.463 ' O ' HG23 ' A' ' 55' ' ' VAL . 59.5 mtt180 -72.98 -30.9 64.17 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -64.64 -38.95 92.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.749 -179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.406 ' HA ' ' OE1' ' A' ' 48' ' ' GLU . . . -58.49 -51.83 68.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.484 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.722 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 22.7 mt -59.87 -47.44 85.74 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 120.709 0.29 . . . . 0.0 111.144 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 51' ' ' ARG . 86.4 t -59.03 -46.43 91.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.883 -177.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.571 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 5.3 ppt_? -74.31 -39.69 62.72 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.211 -177.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.407 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 5.1 mm-40 -60.95 -46.59 90.08 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.596 0.236 . . . . 0.0 111.25 177.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.722 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 32.6 mt -66.51 -32.97 74.67 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.08 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -60.62 -34.58 74.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.162 174.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 28.4 mt-10 -87.08 -37.05 17.77 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -178.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.587 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 2.1 mt-10 -89.35 -52.55 4.98 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.752 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.674 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 43.2 mt -97.64 4.14 50.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -171.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 45.21 37.48 5.97 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 114.635 0.614 . . . . 0.0 114.635 -175.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.461 HG12 ' HB2' ' A' ' 62' ' ' LEU . 36.0 pt -129.87 144.38 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 117.839 0.819 . . . . 0.0 111.792 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.475 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 7.6 mm-40 -89.35 93.4 9.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.848 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.93 157.11 22.04 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.478 -174.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.575 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 38.1 m -119.46 103.93 9.89 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.219 176.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.4 t -76.06 117.22 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.635 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.509 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . -162.76 62.73 0.26 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 119.847 -1.168 . . . . 0.0 113.973 -172.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.509 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 11.9 pt-20 158.46 148.03 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.208 1.003 . . . . 0.0 109.546 173.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.624 ' HA ' ' HD1' ' A' ' 89' ' ' TRP . 0.2 OUTLIER -104.26 127.51 51.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.268 -173.758 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.432 ' HB ' ' O ' ' A' ' 88' ' ' ALA . 85.5 t -97.81 -70.02 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.952 172.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -163.95 165.25 22.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 111.722 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 72.3 m -131.21 145.08 51.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.181 174.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -131.6 140.82 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.329 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -110.0 146.77 34.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.223 0.535 . . . . 0.0 111.283 176.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.483 ' HG3' HG13 ' A' ' 84' ' ' ILE . 15.2 ptt180 -158.55 174.19 15.46 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 172.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 6.7 pt-20 -118.8 151.52 37.9 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 119.245 -0.982 . . . . 0.0 111.716 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.593 ' HB ' HD11 ' A' ' 84' ' ' ILE . 3.8 p -126.33 94.92 2.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.678 172.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.2 m 53.06 66.88 1.1 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.784 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.19 17.25 71.89 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 116.089 -0.505 . . . . 0.0 113.916 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 78' ' ' GLU . 91.3 mtt180 -127.97 131.24 49.28 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.613 HD13 ' HB3' ' A' ' 6' ' ' MET . 1.7 mp -94.13 114.84 31.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.066 0.46 . . . . 0.0 110.389 -173.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.593 HD11 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -89.09 131.24 36.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.382 178.123 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -116.57 96.86 5.7 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.943 -176.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.593 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.2 mp -88.93 128.82 35.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 -176.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -109.24 112.98 25.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.668 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.432 ' O ' ' HB ' ' A' ' 72' ' ' VAL . . . -93.75 107.04 18.97 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.023 0.44 . . . . 0.0 110.372 177.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.624 ' HD1' ' HA ' ' A' ' 71' ' ' TYR . 7.6 m0 -111.05 150.4 29.39 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.41 177.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.607 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 39.6 t-80 -95.65 130.85 42.4 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.673 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.5 t -91.22 104.32 9.45 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.015 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.575 ' HD2' ' O ' ' A' ' 67' ' ' THR . 61.3 Cg_endo -75.45 -27.48 9.28 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.806 2.338 . . . . 0.0 112.627 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -153.18 141.93 21.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.683 -176.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -146.07 142.59 28.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.85 0.357 . . . . 0.0 110.587 178.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 76.7 t60 -103.84 121.83 43.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 126.07 -166.25 18.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.861 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 26.0 m -117.95 120.09 36.78 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.889 HD23 ' H ' ' A' ' 98' ' ' LEU . 1.3 pt? -72.5 119.2 16.38 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.962 -174.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.674 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.0 pt20 -123.3 169.15 11.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.576 -176.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.533 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -113.94 104.53 12.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.816 0.341 . . . . 0.0 110.41 177.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -89.98 -69.09 0.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.222 -178.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.587 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 60.9 mm-40 -77.19 -36.99 54.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.218 0.532 . . . . 0.0 109.878 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.92 ' HA ' ' HB3' ' A' ' 27' ' ' ARG . 9.2 m-70 -86.96 156.86 19.62 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 174.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.513 ' H ' ' HB2' ' A' ' 27' ' ' ARG . 8.0 tt0 -95.83 -47.8 6.0 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -168.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.512 ' O ' ' HA ' ' A' ' 25' ' ' ALA . . . -115.67 147.71 40.54 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.674 -178.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.862 ' HG ' HD11 ' A' ' 23' ' ' LEU . 2.5 tp -131.73 122.06 25.26 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -178.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.4 p -131.54 148.91 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.821 0.343 . . . . 0.0 111.591 -172.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.504 ' CZ2' HD11 ' A' ' 98' ' ' LEU . 10.8 m-90 -105.59 115.13 29.73 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 172.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.7 p -125.26 150.63 46.89 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.302 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.493 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 24.5 m -66.71 157.38 83.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.41 ' O ' HD11 ' A' ' 127' ' ' LEU . 2.5 Cg_endo -46.69 -52.67 7.18 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.969 2.446 . . . . 0.0 112.992 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.07 -28.5 68.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.75 0.31 . . . . 0.0 111.188 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.493 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 16.4 mm-40 -67.13 -41.33 86.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.317 178.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.04 -41.63 83.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.195 -174.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.598 HD23 HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -73.15 -11.85 60.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.645 0.259 . . . . 0.0 111.329 -177.48 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.457 HE21 ' HA ' ' A' ' 113' ' ' GLU . 45.7 mt-30 -87.67 -8.26 56.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.206 0.527 . . . . 0.0 110.382 173.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.412 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 7.9 m-85 -88.68 154.69 50.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.612 178.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.597 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 37.0 Cg_endo -66.86 79.86 0.36 Allowed 'Trans proline' 0 CA--C 1.529 0.249 0 C-N-CA 122.365 2.043 . . . . 0.0 112.15 177.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 123' ' ' ASP . 84.3 mt -89.38 153.73 20.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.273 178.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.568 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -72.65 160.06 83.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.577 177.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.527 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 18.9 Cg_endo -59.9 -13.03 20.76 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.227 2.618 . . . . 0.0 113.46 -177.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.502 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -93.01 -30.14 15.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.752 0.311 . . . . 0.0 110.659 178.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.568 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 3.8 m-20 -79.48 -29.24 41.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.874 -175.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.459 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 82.6 mt -60.01 -59.97 12.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.962 -176.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.459 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 15.9 Cg_endo -57.98 -26.57 75.47 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.428 2.085 . . . . 0.0 112.839 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.9 mt -75.23 -42.61 55.0 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.833 0.349 . . . . 0.0 110.317 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.598 HD12 HD23 ' A' ' 115' ' ' LEU . 2.8 tm? -73.58 -37.59 65.44 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -51.67 -42.15 61.91 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.739 0.304 . . . . 0.0 110.483 176.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.449 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -82.69 -21.66 34.79 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.447 ' HB3' HD22 ' A' ' 127' ' ' LEU . 85.9 t80 -70.52 -45.94 64.59 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 178.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.2 ptm -69.4 -33.12 72.54 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.57 175.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -60.56 -44.33 96.27 Favored 'General case' 0 C--N 1.338 0.085 0 CA-C-O 120.869 0.366 . . . . 0.0 111.384 174.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.476 ' O ' ' HD2' ' A' ' 137' ' ' ARG . 1.5 mp -62.51 -32.84 73.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.389 -176.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 134' ' ' ARG . 29.3 mtp180 -93.71 -17.4 23.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.496 -176.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.48 -39.02 12.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.055 0.455 . . . . 0.0 110.429 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -90.92 -41.76 10.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.322 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.476 ' HD2' ' O ' ' A' ' 133' ' ' LEU . 10.4 mmm180 63.19 99.66 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.352 0 O-C-N 123.996 0.81 . . . . 0.0 111.381 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.32 138.47 86.38 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.986 2.458 . . . . 0.0 112.509 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -94.27 -4.47 48.75 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.726 -178.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 . . . . . 0 C--O 1.247 0.972 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.726 179.59 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.418 ' HA2' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.817 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.418 ' HD2' ' HA2' ' A' ' 1' ' ' GLY . 10.3 Cg_endo -51.89 -61.4 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.458 2.772 . . . . 0.0 113.416 -175.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 24.8 tp -86.97 32.21 0.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.421 0.629 . . . . 0.0 110.675 -176.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.03 6.33 87.37 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.882 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 m -73.43 93.65 1.99 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.97 0.414 . . . . 0.0 110.756 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.515 ' HB3' HD13 ' A' ' 83' ' ' ILE . 56.9 mtt -90.05 118.34 29.53 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 176.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -95.0 141.3 28.82 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.1 mtt -99.75 130.83 46.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.55 0.691 . . . . 0.0 111.333 -177.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.587 ' HB ' HG23 ' A' ' 84' ' ' ILE . 23.3 mt -106.45 109.93 29.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 114.724 -1.125 . . . . 0.0 108.251 176.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -96.27 125.17 40.6 Favored 'General case' 0 C--N 1.305 -1.345 0 C-N-CA 120.394 -0.523 . . . . 0.0 109.75 -175.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.62 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 89.8 t -125.29 128.62 72.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -178.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.414 HG12 ' HB2' ' A' ' 87' ' ' HIS . 2.5 m -100.0 133.25 43.6 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.48 133.19 55.35 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.604 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.67 115.85 31.4 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.128 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.447 HG23 ' CG2' ' A' ' 22' ' ' ILE . 4.8 mt -93.68 98.89 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 174.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.563 HD12 HD23 ' A' ' 23' ' ' LEU . 46.9 mt -91.5 104.12 15.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -176.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.566 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 43.5 tt0 -109.27 112.2 24.21 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.003 -174.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.432 ' NH1' ' HA ' ' A' ' 93' ' ' ASP . 6.7 tpt180 -123.64 121.97 36.94 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.417 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 68.68 14.33 8.99 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.828 0.705 . . . . 0.0 111.275 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.93 2.89 58.2 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.395 -0.907 . . . . 0.0 112.326 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 9.4 mttp -113.34 150.06 33.12 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.536 ' O ' ' HA ' ' A' ' 108' ' ' TRP . 17.3 mt -104.18 148.48 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -177.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.563 HD23 HD12 ' A' ' 16' ' ' ILE . 42.9 tp -89.1 119.61 29.76 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.145 0.498 . . . . 0.0 111.365 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.668 HD22 ' HE3' ' A' ' 37' ' ' TRP . 7.0 mp -115.24 147.62 40.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.119 177.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.41 116.77 26.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.931 0.396 . . . . 0.0 111.312 -178.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.27 101.84 5.61 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.198 179.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.782 ' HD2' ' HD2' ' A' ' 28' ' ' PRO . 22.6 tpt180 157.79 120.52 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.49 0 O-C-N 124.76 1.287 . . . . 0.0 109.133 177.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.782 ' HD2' ' HD2' ' A' ' 27' ' ' ARG . 45.3 Cg_endo -85.11 -146.94 0.03 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.722 2.281 . . . . 0.0 111.275 175.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.8 -55.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 111.607 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -89.16 -17.15 29.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.045 0.45 . . . . 0.0 110.283 -177.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.9 m -90.12 140.85 29.26 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.506 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -88.84 -27.03 21.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.486 0.66 . . . . 0.0 109.557 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -63.86 132.14 49.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.294 178.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.43 164.7 11.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.602 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.6 -26.18 9.74 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.669 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.469 ' HA ' ' HG2' ' A' ' 118' ' ' PRO . 11.4 mt -75.6 145.85 40.83 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.86 0.362 . . . . 0.0 111.138 178.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.668 ' HE3' HD22 ' A' ' 24' ' ' LEU . 27.7 m0 -108.59 147.75 31.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.815 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.533 ' OE1' ' HA ' ' A' ' 28' ' ' PRO . 9.5 pt-20 -146.91 159.89 42.99 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -79.72 153.54 29.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.798 0.332 . . . . 0.0 110.421 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.46 160.8 23.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.756 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.13 -139.61 7.04 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -178.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.88 177.04 37.77 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.317 -0.944 . . . . 0.0 112.884 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -77.9 152.12 33.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.014 0.435 . . . . 0.0 110.562 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -98.7 120.43 48.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -86.08 157.68 56.56 Favored Pre-proline 0 C--N 1.319 -0.737 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -74.5 3.32 5.44 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.416 2.077 . . . . 0.0 112.127 -174.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -101.73 -7.77 22.32 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.06 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -131.74 170.02 15.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.498 0.666 . . . . 0.0 112.362 -170.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.0 m -96.81 162.03 13.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.142 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -57.0 -55.22 37.5 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.817 0.341 . . . . 0.0 111.142 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.448 ' O ' HG23 ' A' ' 55' ' ' VAL . 49.7 mtt180 -65.55 -31.68 72.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.143 0.497 . . . . 0.0 110.171 -179.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -70.08 -39.95 75.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.313 -176.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.67 96.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.649 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.604 HD22 ' HB2' ' A' ' 14' ' ' ALA . 38.7 mt -62.72 -46.67 87.03 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 111.141 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 51' ' ' ARG . 53.1 t -59.51 -42.28 87.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.344 -177.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.585 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 11.9 ptt85 -76.39 -42.86 42.99 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.286 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.498 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 5.6 mm-40 -58.48 -49.88 75.76 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.7 0.286 . . . . 0.0 111.08 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.596 ' HG ' HD12 ' A' ' 62' ' ' LEU . 9.9 mp -62.33 -32.71 73.51 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.296 176.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -63.86 -37.79 88.68 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.73 174.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 29.2 mt-10 -80.3 -45.47 17.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.971 -178.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.59 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 67.1 mm-40 -84.64 -51.75 6.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.524 -176.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.742 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 63.9 mt -100.17 7.28 44.64 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.709 -172.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 45.46 34.6 4.96 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 115.007 0.763 . . . . 0.0 115.007 -175.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.516 HG23 ' O ' ' A' ' 62' ' ' LEU . 47.8 pt -124.91 146.48 30.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 117.859 0.83 . . . . 0.0 112.014 -178.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 31.8 mt-10 -90.09 93.39 9.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.497 -0.774 . . . . 0.0 108.969 172.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.67 149.12 28.67 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.151 0.5 . . . . 0.0 111.612 -176.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.702 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 40.5 m -112.51 104.11 12.21 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.046 175.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.447 ' HB ' ' HB3' ' A' ' 51' ' ' ARG . 49.5 t -88.15 122.26 39.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.863 -176.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.479 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . -167.52 76.71 0.12 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 119.755 -1.212 . . . . 0.0 114.152 -175.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.656 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 12.2 pt-20 146.95 119.39 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.559 1.544 . . . . 0.0 109.324 172.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.43 131.5 35.6 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.1 -176.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.5 t -97.07 -69.95 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.338 176.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.69 171.47 20.26 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.85 0.357 . . . . 0.0 111.321 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.7 p -136.67 147.32 46.76 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 176.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -139.52 147.21 40.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.859 0.361 . . . . 0.0 110.51 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.412 ' HG3' ' HD2' ' A' ' 85' ' ' HIS . 38.4 mt-30 -112.56 141.69 46.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.226 176.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.609 ' HD3' ' HB2' ' A' ' 122' ' ' ALA . 18.4 ptt180 -148.16 170.61 17.46 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 173.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -119.91 149.42 42.12 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 119.374 -0.931 . . . . 0.0 111.626 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.658 ' HB ' HD11 ' A' ' 84' ' ' ILE . 3.2 p -126.22 96.22 3.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.502 173.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 m 51.12 65.47 1.47 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.67 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.84 14.34 70.24 Favored Glycine 0 CA--C 1.521 0.427 0 CA-C-N 116.249 -0.432 . . . . 0.0 113.989 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.509 ' HB2' HG13 ' A' ' 79' ' ' VAL . 85.7 mtt180 -119.09 133.01 56.05 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 175.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.515 HD13 ' HB3' ' A' ' 6' ' ' MET . 1.9 mp -95.06 109.99 23.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.159 0.504 . . . . 0.0 110.575 -173.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.658 HD11 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -86.49 129.8 37.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.163 179.769 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.412 ' HD2' ' HG3' ' A' ' 76' ' ' GLN . 9.6 t-160 -119.16 97.98 5.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.808 -175.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.62 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.2 mp -87.31 132.41 33.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.592 -175.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.414 ' HB2' HG12 ' A' ' 12' ' ' VAL . 48.6 m-70 -113.53 112.72 24.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.73 176.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.5 ' HB2' HD23 ' A' ' 126' ' ' LEU . . . -90.14 110.47 21.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.129 0.49 . . . . 0.0 110.895 179.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.427 ' HB3' HG13 ' A' ' 68' ' ' VAL . 82.8 m95 -108.09 136.72 47.3 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.626 176.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.656 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 45.9 t-80 -84.9 125.66 32.83 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.47 ' HB ' ' HA ' ' A' ' 16' ' ' ILE . 61.8 t -91.43 101.69 4.65 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.634 175.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.702 ' HD2' ' O ' ' A' ' 67' ' ' THR . 55.5 Cg_endo -71.68 -22.62 23.85 Favored 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 122.816 2.344 . . . . 0.0 112.436 -179.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 38.7 t70 -158.05 148.68 20.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.983 0.421 . . . . 0.0 111.505 -178.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -143.72 145.45 32.43 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 37.3 t-80 -109.81 120.31 42.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.684 0.278 . . . . 0.0 110.559 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 130.48 -165.64 22.63 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.202 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 89.7 m -122.17 129.32 52.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.015 0.436 . . . . 0.0 110.697 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.511 ' HB3' HD23 ' A' ' 106' ' ' LEU . 18.6 mt -59.54 129.34 41.5 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.946 -1.024 . . . . 0.0 112.007 -176.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.742 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 9.7 pt20 -140.27 155.78 46.73 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.342 175.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.58 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -111.47 124.14 51.66 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.638 0.256 . . . . 0.0 111.488 177.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -98.0 -66.55 0.89 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.065 0.459 . . . . 0.0 110.292 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.59 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 12.4 mm-40 -76.89 -29.66 55.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.052 177.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.557 ' HA ' ' CB ' ' A' ' 27' ' ' ARG . 53.6 m-70 -96.96 163.82 12.79 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.672 -175.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -94.78 -64.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.985 0.421 . . . . 0.0 111.023 -175.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.32 149.04 28.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.792 -175.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.58 HD13 ' HB2' ' A' ' 100' ' ' ALA . 1.4 tp -123.64 125.15 44.3 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.4 p -137.76 128.72 38.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.389 0.614 . . . . 0.0 111.457 -173.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.536 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 23.1 p90 -94.78 125.38 39.4 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.317 172.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.558 ' SG ' HD13 ' A' ' 24' ' ' LEU . 26.0 p -144.11 157.97 44.0 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.692 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.491 ' HB2' ' HG3' ' A' ' 113' ' ' GLU . 5.6 m -71.38 155.12 93.19 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -175.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.536 ' O ' HD11 ' A' ' 127' ' ' LEU . 48.7 Cg_exo -47.25 -49.74 12.38 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.06 2.506 . . . . 0.0 113.079 -178.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 1.6 pm0 -65.87 -36.31 83.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.959 -177.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.491 ' HG3' ' HB2' ' A' ' 110' ' ' SER . 28.7 mt-10 -67.14 -38.65 85.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.979 0.418 . . . . 0.0 110.153 177.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.25 90.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.726 -176.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.622 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -71.36 -16.07 62.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.711 0.291 . . . . 0.0 111.232 -175.501 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 112' ' ' GLU . 52.4 mt-30 -79.92 -8.13 59.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.022 0.439 . . . . 0.0 110.879 177.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.524 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 32.2 m-85 -100.81 165.71 13.78 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.765 -178.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.524 ' HD2' ' HB3' ' A' ' 117' ' ' TYR . 55.8 Cg_endo -70.29 76.82 1.32 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.524 2.149 . . . . 0.0 112.705 -178.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.434 HD21 HD23 ' A' ' 24' ' ' LEU . 41.9 mt -86.48 152.76 22.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.2 176.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.516 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -68.12 155.2 92.64 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.659 178.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.432 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 17.7 Cg_endo -59.37 -13.96 22.77 Favored 'Trans proline' 0 CA--C 1.534 0.502 0 C-N-CA 123.197 2.598 . . . . 0.0 114.214 -174.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.609 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -98.18 -25.52 14.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.017 -0.427 . . . . 0.0 111.068 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.516 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 2.0 m-20 -78.27 -26.25 47.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.854 -178.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.468 HG23 HD11 ' A' ' 115' ' ' LEU . 80.3 mt -62.94 -59.03 13.6 Favored Pre-proline 0 CA--C 1.537 0.468 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.33 -179.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.46 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 10.4 Cg_endo -55.49 -32.12 81.14 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.85 2.367 . . . . 0.0 112.904 179.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.5 HD23 ' HB2' ' A' ' 88' ' ' ALA . 5.0 mp -73.73 -45.31 52.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.991 0.424 . . . . 0.0 110.506 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.622 ' HB3' HD23 ' A' ' 115' ' ' LEU . 2.9 tm? -69.83 -38.45 76.53 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.808 178.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -49.99 -44.79 51.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.345 176.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.468 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -80.91 -20.68 41.59 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.574 -179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -74.1 -47.36 36.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.8 ptm -68.16 -32.64 73.05 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.618 174.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.468 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -59.22 -40.13 84.86 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.124 0.488 . . . . 0.0 110.766 172.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 mp -67.65 -35.28 78.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.543 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -81.26 -17.89 47.88 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -86.41 -35.39 19.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.129 0.49 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -94.79 -34.74 12.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.334 178.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 56.66 88.91 0.11 Allowed Pre-proline 0 N--CA 1.463 0.212 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.723 -178.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -58.38 106.83 0.29 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.989 2.459 . . . . 0.0 112.016 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -125.43 5.71 7.65 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.366 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 36.5 t70 . . . . . 0 C--O 1.247 0.952 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.296 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 111.679 -0.568 . . . . 0.0 111.679 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.68 149.23 54.49 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.531 2.154 . . . . 0.0 110.86 174.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.6 tp -70.64 -43.89 68.27 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.45 96.82 0.71 Allowed Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.526 176.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -57.0 -50.06 73.88 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 122.079 0.152 . . . . 0.0 111.0 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 61.7 mtt 66.23 103.76 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.935 0.772 . . . . 0.0 111.007 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -88.74 140.84 29.03 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.8 mtp -94.45 127.87 40.64 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.41 0.624 . . . . 0.0 110.755 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.642 ' HB ' HG23 ' A' ' 84' ' ' ILE . 40.4 mt -108.42 104.81 17.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.261 178.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -97.59 118.71 34.71 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -174.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.588 ' HB ' ' HG ' ' A' ' 86' ' ' LEU . 93.9 t -118.03 141.23 38.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.649 -174.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.06 132.05 62.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.059 0.457 . . . . 0.0 110.713 177.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.62 126.66 55.6 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.299 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.625 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.82 109.57 21.19 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.136 0.493 . . . . 0.0 109.981 -178.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.489 HG23 HG23 ' A' ' 22' ' ' ILE . 7.6 mt -92.52 105.02 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.062 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.133 178.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.733 HG13 HD23 ' A' ' 23' ' ' LEU . 2.7 mm -82.3 102.13 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.612 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . 3.2 tm-20 -116.85 117.1 28.8 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.417 ' HG3' ' OD2' ' A' ' 19' ' ' ASP . 25.3 tpt180 -136.61 127.69 27.84 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.306 -177.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.417 ' OD2' ' HG3' ' A' ' 18' ' ' ARG . 41.7 m-20 66.9 17.59 10.54 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.491 0.494 . . . . 0.0 111.208 178.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.24 4.82 66.16 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.996 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 12.5 mmtp -115.71 141.05 48.6 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -178.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.489 HG23 HG23 ' A' ' 15' ' ' ILE . 49.0 mt -103.63 144.65 13.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.932 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.733 HD23 HG13 ' A' ' 16' ' ' ILE . 50.7 tp -83.4 109.69 17.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.654 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.49 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 7.3 mp -98.71 127.81 44.76 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 175.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.08 112.9 20.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.675 0.274 . . . . 0.0 110.541 -177.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.589 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 7.1 tt0 -70.26 108.44 4.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.895 -175.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.645 ' HG2' ' H ' ' A' ' 29' ' ' ALA . 23.8 ttt180 162.96 114.35 0.01 OUTLIER Pre-proline 0 N--CA 1.469 0.522 0 O-C-N 124.368 1.042 . . . . 0.0 110.719 168.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' A' ' 27' ' ' ARG . 24.4 Cg_endo -63.66 -17.62 60.72 Favored 'Trans proline' 0 CA--C 1.516 -0.387 0 C-N-CA 123.035 2.49 . . . . 0.0 111.383 173.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.645 ' H ' ' HG2' ' A' ' 27' ' ' ARG . . . 80.41 -75.51 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 113.358 -1.746 . . . . 0.0 111.83 173.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -85.75 2.85 43.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.053 0.454 . . . . 0.0 111.376 -175.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.544 ' OG ' ' HG2' ' A' ' 33' ' ' GLN . 27.6 t -104.27 152.57 22.05 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 175.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -85.89 -7.72 58.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.567 -175.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.544 ' HG2' ' OG ' ' A' ' 31' ' ' SER . 12.1 pt20 -89.49 162.86 15.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.614 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -141.19 -174.28 3.97 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.525 178.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.96 -27.8 18.24 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.315 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.512 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 26.4 mt -77.92 154.08 31.98 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 122.566 0.346 . . . . 0.0 110.666 177.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.615 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 73.0 m95 -113.52 140.91 47.74 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 175.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HG2' ' HB2' ' A' ' 120' ' ' ALA . 37.8 mp0 -141.82 166.17 25.46 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -177.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.467 ' HE1' HG21 ' A' ' 22' ' ' ILE . 60.6 m-85 -82.89 159.86 22.26 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.36 175.91 7.14 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.35 -135.41 6.83 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.6 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.538 ' O ' HG13 ' A' ' 11' ' ' VAL . . . 170.29 -145.23 8.96 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.196 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -124.84 152.59 43.76 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -175.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.9 t -95.59 113.82 30.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.0 -175.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.488 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 34.7 mm-40 -82.29 141.15 45.82 Favored Pre-proline 0 N--CA 1.442 -0.847 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 175.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -50.74 -37.07 53.45 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.804 2.336 . . . . 0.0 112.537 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -78.57 -2.48 39.06 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -176.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.488 ' HG2' ' HB2' ' A' ' 45' ' ' GLU . 12.6 pt-20 -129.5 173.99 10.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.121 0.486 . . . . 0.0 111.471 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 t -105.44 164.28 11.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.921 -175.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -60.11 -55.12 37.77 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.338 -178.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.495 ' O ' HG23 ' A' ' 55' ' ' VAL . 58.4 mtt180 -61.63 -32.8 72.96 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-O 120.877 0.37 . . . . 0.0 110.171 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -70.74 -46.14 63.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.275 -177.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.492 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -59.24 -46.31 88.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.747 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.725 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 27.2 mt -61.19 -45.23 95.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.206 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 51' ' ' ARG . 46.8 t -61.72 -45.45 98.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.026 -177.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -71.28 -39.65 71.38 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.078 -176.528 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.6 -46.65 81.77 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.725 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 26.5 mt -66.08 -33.99 77.04 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.57 -178.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -56.88 -34.22 67.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.95 0.405 . . . . 0.0 110.718 174.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -89.66 -43.03 11.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.933 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.591 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 69.7 mm-40 -89.71 -38.36 13.91 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -173.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.461 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 57.3 mt -101.54 -19.82 15.33 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.633 -175.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.54 15.29 71.43 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.075 -1.059 . . . . 0.0 111.917 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.462 HD12 ' CB ' ' A' ' 94' ' ' PHE . 45.4 pt -123.21 144.14 33.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.856 0.36 . . . . 0.0 111.177 -177.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -86.56 99.72 11.89 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 171.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.415 ' CB ' HD12 ' A' ' 58' ' ' LEU . . . -84.97 148.14 26.36 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.308 0.575 . . . . 0.0 111.971 -172.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.661 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 40.7 m -111.75 106.17 14.87 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.013 174.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.5 t -92.71 124.43 45.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -177.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.446 ' HA2' ' NH1' ' A' ' 51' ' ' ARG . . . -171.41 68.24 0.13 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 119.852 -1.166 . . . . 0.0 113.969 -176.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.536 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 10.6 pt-20 157.65 104.31 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.82 1.248 . . . . 0.0 109.278 177.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.516 ' OH ' ' HB3' ' A' ' 74' ' ' SER . 9.4 t80 -79.94 129.55 34.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.976 -176.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.565 HG11 ' HD1' ' A' ' 130' ' ' PHE . 75.7 t -100.05 -69.76 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -177.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.564 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . . . -137.21 -177.89 4.97 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -172.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.516 ' HB3' ' OH ' ' A' ' 71' ' ' TYR . 24.8 p -162.97 136.74 6.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.078 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -135.53 130.35 34.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.822 0.344 . . . . 0.0 110.196 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -108.33 136.16 48.43 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.159 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.621 ' HG3' HG13 ' A' ' 84' ' ' ILE . 9.3 ptm180 -153.66 176.71 11.78 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 178.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -117.04 151.95 35.68 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.765 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.633 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.7 p -127.22 95.06 2.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 171.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.2 t 50.81 63.71 2.12 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.053 -177.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.66 -19.68 18.8 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 121.148 -0.549 . . . . 0.0 114.395 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -97.27 133.49 41.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.514 0.657 . . . . 0.0 110.834 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.9 mp -90.45 115.18 29.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.776 0.322 . . . . 0.0 110.845 -173.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.642 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -92.06 135.0 28.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.187 0.517 . . . . 0.0 110.465 176.459 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -125.62 98.73 5.69 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.734 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.588 ' HG ' ' HB ' ' A' ' 11' ' ' VAL . 6.3 mp -88.04 133.48 33.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.566 -176.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.497 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . 39.9 m80 -112.25 113.98 26.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.721 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.99 109.69 20.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.762 0.315 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -107.7 147.23 31.02 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.622 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.612 ' NE2' ' HB3' ' A' ' 17' ' ' GLU . 9.7 t-160 -102.4 127.81 49.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 173.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.454 HG21 HD13 ' A' ' 16' ' ' ILE . 12.4 m -92.71 104.37 11.28 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-O 121.222 0.534 . . . . 0.0 110.225 174.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.661 ' HD2' ' O ' ' A' ' 67' ' ' THR . 59.0 Cg_endo -72.18 -8.89 23.63 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 123.09 2.527 . . . . 0.0 112.733 -179.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.415 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 20.5 t70 -157.62 145.24 18.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.902 0.382 . . . . 0.0 110.997 -178.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.462 ' CB ' HD12 ' A' ' 64' ' ' ILE . 38.6 p90 -151.11 144.94 25.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.233 174.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -111.69 124.16 51.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.547 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.32 -160.01 18.92 Favored Glycine 0 N--CA 1.453 -0.198 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.5 m -122.42 125.73 46.47 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.46 122.07 23.27 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.697 0.761 . . . . 0.0 110.727 -175.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 29.8 pt20 -140.86 166.84 23.68 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.869 -176.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -101.92 110.49 22.48 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.262 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.591 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 34.2 t-80 -83.92 -65.25 1.03 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 174.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.46 ' O ' ' HD2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -84.33 -36.4 22.58 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.487 178.773 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -75.12 175.04 8.6 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.427 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -95.52 -73.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.549 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -120.24 163.02 18.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.472 0.177 . . . . 0.0 111.194 -176.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.472 ' HB3' HD11 ' A' ' 23' ' ' LEU . 2.3 mm? -122.16 137.97 54.64 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.9 p -134.99 130.58 52.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.084 0.469 . . . . 0.0 110.249 172.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.457 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 15.8 p90 -99.43 121.06 40.6 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.465 0.65 . . . . 0.0 110.557 177.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 39.3 m -145.33 156.88 44.06 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.551 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.408 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 22.9 m -66.51 155.84 87.56 Favored Pre-proline 0 C--N 1.315 -0.893 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -177.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.583 ' O ' HD11 ' A' ' 127' ' ' LEU . 5.8 Cg_endo -49.92 -42.26 45.35 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.006 2.471 . . . . 0.0 112.903 -178.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -66.96 -33.09 74.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.798 0.332 . . . . 0.0 111.064 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.408 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 7.0 mm-40 -72.77 -40.76 65.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.703 176.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.82 -38.67 75.99 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.365 -173.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.649 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -71.66 -12.93 61.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.877 0.37 . . . . 0.0 110.868 -175.537 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -86.26 -8.7 57.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.151 0.5 . . . . 0.0 110.373 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.478 ' HB3' ' HD2' ' A' ' 118' ' ' PRO . 38.6 m-85 -89.01 165.97 24.25 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.805 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.478 ' HD2' ' HB3' ' A' ' 117' ' ' TYR . 72.3 Cg_endo -73.77 73.37 3.59 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.121 1.88 . . . . 0.0 111.803 176.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.615 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 77.9 mt -80.81 150.89 29.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.251 178.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.561 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -59.8 152.46 58.42 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 177.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.4 -11.74 24.25 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.052 2.502 . . . . 0.0 113.275 -177.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.477 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -95.49 -26.05 15.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.034 0.445 . . . . 0.0 109.905 176.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.561 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.0 OUTLIER -82.75 -26.32 32.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.206 -174.261 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.441 ' HB ' ' HD3' ' A' ' 125' ' ' PRO . 73.3 mt -62.15 -57.27 24.4 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.853 -177.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.441 ' HD3' ' HB ' ' A' ' 124' ' ' ILE . 29.5 Cg_endo -63.35 -21.88 71.68 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.28 1.987 . . . . 0.0 112.747 179.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 84.7 mt -77.14 -42.81 36.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.874 0.369 . . . . 0.0 110.142 177.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.649 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.2 tm? -70.33 -36.29 74.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.552 178.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -47.9 -45.66 30.93 Favored 'General case' 0 N--CA 1.458 -0.067 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.046 175.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.608 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -83.93 -14.73 50.23 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.565 ' HD1' HG11 ' A' ' 72' ' ' VAL . 57.8 t80 -75.46 -46.74 30.73 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.7 ptm -70.02 -34.82 73.77 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.872 174.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.608 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -60.01 -41.29 91.81 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 120.669 0.271 . . . . 0.0 111.022 172.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 129' ' ' ALA . 1.4 tp -67.31 -33.59 75.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.929 -177.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 37.1 mtp85 -87.06 -9.92 54.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.751 0.31 . . . . 0.0 111.316 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -96.19 -39.46 9.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.107 0.48 . . . . 0.0 110.345 175.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -84.95 -24.84 28.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.451 178.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 137' ' ' ARG . 43.6 ttp180 73.41 122.32 0.03 OUTLIER Pre-proline 0 C--O 1.232 0.17 0 O-C-N 124.183 0.927 . . . . 0.0 111.083 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.07 115.02 3.06 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.88 2.387 . . . . 0.0 112.455 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -137.79 11.6 2.91 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.421 176.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 C--O 1.25 1.115 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.71 -176.736 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.403 ' HA3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 111.661 -0.576 . . . . 0.0 111.661 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.403 ' HD3' ' HA3' ' A' ' 1' ' ' GLY . 2.1 Cg_endo -82.06 100.8 1.09 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 123.101 2.534 . . . . 0.0 111.525 176.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.3 tp 68.07 110.78 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.249 0.619 . . . . 0.0 111.708 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.41 178.05 32.55 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 173.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 t -67.83 -29.62 68.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 117.111 0.455 . . . . 0.0 110.087 178.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.519 ' CE ' ' HA ' ' A' ' 6' ' ' MET . 9.9 mmt 68.5 -174.03 0.19 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.387 176.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -119.99 148.13 43.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.825 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.1 mtp -102.28 137.03 41.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.094 175.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.754 ' HB ' HG23 ' A' ' 84' ' ' ILE . 58.4 mt -111.88 122.55 66.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.26 -178.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -99.44 121.1 40.66 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.626 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 97.2 t -124.92 120.52 58.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -178.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.421 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 1.6 m -98.93 134.05 39.24 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.404 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.96 131.76 56.8 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.034 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.567 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.62 120.93 41.41 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.107 0.48 . . . . 0.0 110.403 -177.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.469 HG23 ' CG2' ' A' ' 22' ' ' ILE . 5.2 mt -94.18 99.58 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 175.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.711 HG13 HD23 ' A' ' 23' ' ' LEU . 2.2 mm -87.59 110.39 20.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -176.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -104.88 119.59 39.36 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.668 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.476 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -142.2 138.96 31.86 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 175.843 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.44 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 18.3 t70 79.21 -22.05 0.3 Allowed 'General case' 0 N--CA 1.474 0.757 0 O-C-N 123.956 0.785 . . . . 0.0 110.712 -175.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.21 3.78 29.37 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 -165.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -109.51 161.3 15.47 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.419 -0.891 . . . . 0.0 109.609 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.469 ' CG2' HG23 ' A' ' 15' ' ' ILE . 13.0 mt -105.81 147.04 11.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.711 HD23 HG13 ' A' ' 16' ' ' ILE . 55.2 tp -87.39 116.99 25.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.335 -178.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 mp -111.52 134.96 52.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.953 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.75 121.2 43.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.289 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 37' ' ' TRP . 34.9 tt0 -68.14 117.72 10.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.284 0.564 . . . . 0.0 112.272 -176.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -175.12 133.56 0.48 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 114.3 -1.318 . . . . 0.0 108.632 175.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.578 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 87.7 Cg_endo -87.07 -25.95 0.97 Allowed 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.196 1.931 . . . . 0.0 112.698 176.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 67.9 -79.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.796 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -95.0 -21.98 18.24 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.442 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.578 ' HB2' ' HB2' ' A' ' 28' ' ' PRO . 58.5 m -78.49 147.56 33.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.072 177.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -99.31 4.1 46.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.189 0.519 . . . . 0.0 110.568 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -78.97 -38.71 36.25 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.759 -173.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.568 ' HA ' ' HG3' ' A' ' 28' ' ' PRO . . . 65.49 172.74 0.22 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.624 -172.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.44 -14.16 42.24 Favored Glycine 0 CA--C 1.516 0.121 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.805 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.613 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 5.9 mp -77.34 155.76 31.74 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 123.001 0.521 . . . . 0.0 110.748 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 62.2 m95 -114.76 145.42 42.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.244 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -133.42 156.85 46.95 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -82.71 122.35 28.05 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 175.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.87 146.38 32.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.229 -176.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.7 -137.09 4.32 Favored Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 -176.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.22 -152.33 20.94 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.603 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -114.03 151.77 31.95 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -176.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.7 t -98.25 118.72 45.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.123 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.33 143.63 45.23 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 175.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.84 -6.04 4.26 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.964 2.442 . . . . 0.0 114.006 -173.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -115.94 12.62 15.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.855 0.359 . . . . 0.0 111.435 -177.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -135.34 158.73 43.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.979 173.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.8 m -85.24 160.03 19.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.082 -177.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -57.22 -42.67 81.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.873 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.453 ' O ' HG23 ' A' ' 55' ' ' VAL . 53.0 mtt180 -69.92 -35.51 74.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.274 178.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -68.09 -43.05 79.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.845 -175.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.43 88.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.797 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.71 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 22.8 mt -59.42 -47.14 86.62 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.745 0.307 . . . . 0.0 110.671 176.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 51' ' ' ARG . 53.7 t -59.21 -44.48 92.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.177 -176.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.429 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 4.3 ppt_? -76.32 -42.22 45.85 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.311 -178.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.84 -44.14 97.44 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.251 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.71 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 54.3 mt -66.49 -34.69 78.49 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.909 178.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 59' ' ' ARG . 22.6 ttt85 -61.51 -34.41 75.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.122 176.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 21.4 mt-10 -87.85 -39.85 14.48 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.511 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.592 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 54.3 mm-40 -82.19 -51.43 7.96 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.652 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 50.8 mt -97.11 -21.56 17.28 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.75 -175.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . 81.51 28.1 44.94 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.036 -1.078 . . . . 0.0 110.935 176.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.471 HG12 ' HB2' ' A' ' 62' ' ' LEU . 33.3 pt -125.91 146.0 32.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.369 0.604 . . . . 0.0 111.289 -177.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.576 ' HB2' ' HB2' ' A' ' 95' ' ' HIS . 60.2 mt-10 -91.71 93.28 8.81 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 173.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.18 154.1 24.43 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.798 -173.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.498 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 79.7 m -113.92 103.74 11.47 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.533 176.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.404 HG13 ' HB3' ' A' ' 89' ' ' TRP . 48.8 t -80.66 126.41 39.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.182 -178.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -121.03 -87.86 0.98 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.341 -0.933 . . . . 0.0 113.144 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.63 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 6.7 pt-20 -94.69 137.54 33.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.585 0.707 . . . . 0.0 112.452 -173.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -79.81 131.31 35.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.942 177.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 67.7 t -93.45 -70.15 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.801 0.334 . . . . 0.0 111.442 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.93 169.06 25.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.99 0.424 . . . . 0.0 111.304 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.0 p -134.44 146.46 49.83 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.168 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -133.78 133.76 42.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.901 -179.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -101.91 141.04 35.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.195 0.521 . . . . 0.0 110.859 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -152.79 173.68 15.0 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 175.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -121.0 150.81 40.56 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 119.341 -0.944 . . . . 0.0 111.201 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.669 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.6 p -117.99 93.55 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.782 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 171.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.8 m 45.5 71.12 0.3 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.21 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.18 -23.3 8.3 Favored Glycine 0 CA--C 1.522 0.496 0 CA-C-N 116.11 -0.496 . . . . 0.0 114.293 177.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.502 ' HB2' HG13 ' A' ' 79' ' ' VAL . 84.5 mtt180 -93.9 134.31 36.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.566 0.683 . . . . 0.0 110.016 -179.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.0 mp -93.35 114.65 30.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.841 0.353 . . . . 0.0 110.574 -173.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.754 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -93.19 137.72 21.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.385 0.612 . . . . 0.0 111.053 179.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -119.39 99.85 6.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.182 -0.917 . . . . 0.0 108.956 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.626 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 5.8 mp -89.36 129.34 35.91 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.327 -178.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -112.91 112.97 24.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.818 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.442 ' HB2' HD13 ' A' ' 126' ' ' LEU . . . -90.05 110.23 21.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.968 0.413 . . . . 0.0 110.332 177.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.404 ' HB3' HG13 ' A' ' 68' ' ' VAL . 86.9 m95 -105.34 136.84 44.13 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.149 178.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.63 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 19.9 t-160 -85.17 114.22 22.12 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.5 t -95.62 102.5 10.26 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 87.3 Cg_endo -85.73 -10.91 7.08 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.784 2.323 . . . . 0.0 112.869 -175.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -155.87 144.49 20.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.361 . . . . 0.0 110.914 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -146.75 149.35 33.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.101 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.576 ' HB2' ' HB2' ' A' ' 65' ' ' GLU . 92.4 m-70 -107.04 128.64 54.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.449 177.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.09 -162.03 12.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.684 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.7 m -130.41 142.34 50.51 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.528 HD13 ' H ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -78.91 132.78 36.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.62 0.724 . . . . 0.0 111.504 -173.468 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.652 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 25.2 pt20 -130.11 158.71 38.91 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.592 176.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -106.24 99.58 9.16 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.47 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.437 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 51.8 t-80 -77.71 -70.49 0.47 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.041 178.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.592 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 13.8 mt-10 -85.97 1.77 48.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.318 0.58 . . . . 0.0 110.612 177.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -115.79 174.21 6.14 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.706 -175.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -98.11 -54.35 3.1 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.862 -178.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.63 169.56 18.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.488 0.185 . . . . 0.0 111.429 -176.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -120.72 138.82 53.78 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.72 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.7 p -134.03 145.12 33.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.873 0.368 . . . . 0.0 110.623 174.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 22.7 m-90 -106.63 117.93 35.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.001 175.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.561 ' HB2' ' HB2' ' A' ' 113' ' ' GLU . 18.3 p -136.73 155.69 49.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.722 176.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.508 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 13.7 m -71.8 162.16 74.76 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.236 -176.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.508 ' HD2' ' HB3' ' A' ' 110' ' ' SER . 12.7 Cg_endo -56.38 -19.34 28.17 Favored 'Trans proline' 0 N--CA 1.48 0.72 0 C-N-CA 123.182 2.588 . . . . 0.0 113.152 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -89.13 -37.83 14.78 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.831 177.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.561 ' HB2' ' HB2' ' A' ' 109' ' ' CYS . 8.2 mm-40 -70.2 -38.78 75.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.022 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.26 -38.62 71.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.919 -175.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.631 HD23 HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -77.3 -11.64 59.86 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.112 -176.751 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -84.9 -11.42 55.63 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.051 0.453 . . . . 0.0 110.638 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.45 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 27.0 m-85 -86.9 155.71 55.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.568 178.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.613 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 56.6 Cg_endo -70.35 80.28 1.06 Allowed 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.059 1.84 . . . . 0.0 111.685 177.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 65.3 mt -85.59 152.52 23.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.192 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.57 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -66.14 156.74 83.68 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.569 178.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.41 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 13.6 Cg_endo -57.07 -16.37 20.92 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.227 2.618 . . . . 0.0 113.762 -177.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.508 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -95.59 -23.91 16.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.857 0.361 . . . . 0.0 111.02 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.57 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.6 m-20 -81.8 -26.04 34.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.795 -175.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.698 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 74.3 mt -63.85 -60.11 9.82 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.807 -176.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.488 ' HA ' ' OE1' ' A' ' 128' ' ' GLU . 10.9 Cg_endo -54.09 -33.94 75.93 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 122.807 2.338 . . . . 0.0 112.953 -179.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' A' ' 88' ' ' ALA . 89.1 mt -72.02 -40.65 68.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.808 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.631 HD12 HD23 ' A' ' 115' ' ' LEU . 2.6 tm? -72.88 -37.24 67.39 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -178.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.698 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 42.5 mt-10 -51.19 -43.4 61.33 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.885 177.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.405 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -78.61 -25.15 45.1 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.641 -178.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.481 ' O ' ' HG3' ' A' ' 134' ' ' ARG . 72.7 t80 -70.94 -45.48 64.1 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.8 ptm -69.18 -34.33 74.77 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.002 175.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -56.93 -44.83 82.85 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.988 0.423 . . . . 0.0 110.931 173.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.43 -35.06 79.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.248 -177.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 130' ' ' PHE . 49.6 mtp85 -79.84 -23.13 42.19 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.9 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -84.23 -37.52 21.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.42 -177.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -105.66 -10.43 16.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.543 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 36.83 82.38 0.23 Allowed Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 124.324 1.05 . . . . 0.0 112.863 -176.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -83.73 155.01 13.58 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.854 2.369 . . . . 0.0 112.84 -178.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -110.6 5.75 21.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.668 0.747 . . . . 0.0 109.365 175.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 C--O 1.246 0.907 0 CA-C-N 114.845 -1.071 . . . . 0.0 109.963 -178.243 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.467 ' HA3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 111.836 -0.505 . . . . 0.0 111.836 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.467 ' HD3' ' HA3' ' A' ' 1' ' ' GLY . 5.7 Cg_endo -85.03 88.59 0.91 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.939 2.426 . . . . 0.0 112.103 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.5 mt -96.19 80.65 3.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.135 0.493 . . . . 0.0 110.696 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.26 -82.57 0.68 Allowed Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 176.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -157.58 153.21 26.52 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 175.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.526 ' HB3' HD13 ' A' ' 83' ' ' ILE . 55.2 mtm -75.81 118.24 18.4 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.553 -177.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -89.92 157.89 17.66 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.446 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 67.5 mtt -112.96 141.64 46.57 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.446 0.641 . . . . 0.0 111.3 -176.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.803 ' HB ' HG23 ' A' ' 84' ' ' ILE . 37.4 mt -113.1 124.42 69.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 114.782 -1.099 . . . . 0.0 108.496 178.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -98.24 124.83 43.05 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -175.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 84.1 t -131.82 136.93 56.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.491 HG12 ' HB2' ' A' ' 87' ' ' HIS . 2.8 m -110.05 138.75 36.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-O 120.965 0.412 . . . . 0.0 110.481 177.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.85 130.98 56.05 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.486 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.557 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.64 114.78 29.3 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.051 0.453 . . . . 0.0 110.071 -178.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.564 HG23 HG23 ' A' ' 22' ' ' ILE . 7.3 mt -90.94 99.63 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.609 HG13 HD23 ' A' ' 23' ' ' LEU . 2.1 mm -81.12 102.05 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 -179.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 37.2 tt0 -110.93 119.18 38.22 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.23 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.532 HH12 ' HA ' ' A' ' 93' ' ' ASP . 5.2 tpt180 -137.16 125.28 22.98 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.503 177.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 72.17 7.63 5.77 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.79 0.681 . . . . 0.0 111.841 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.63 10.6 46.66 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.168 -1.015 . . . . 0.0 111.522 -176.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 7.9 mttt -121.52 144.76 48.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 110.467 179.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.564 HG23 HG23 ' A' ' 15' ' ' ILE . 28.3 mt -104.82 150.16 7.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.317 -177.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.609 HD23 HG13 ' A' ' 16' ' ' ILE . 35.4 tp -89.87 122.45 32.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.236 0.541 . . . . 0.0 111.231 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.433 HD13 ' SG ' ' A' ' 109' ' ' CYS . 6.1 mp -117.18 138.52 51.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.892 177.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.04 121.35 38.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.023 0.44 . . . . 0.0 111.489 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.533 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 53.7 tt0 -79.29 98.21 6.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.116 -178.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.554 ' HD3' ' O ' ' A' ' 28' ' ' PRO . 1.4 tmt_? 161.17 106.28 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.394 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.617 ' HA ' ' OE1' ' A' ' 38' ' ' GLU . 40.9 Cg_endo -85.44 -151.67 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.228 1.952 . . . . 0.0 110.795 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.31 -75.58 0.47 Allowed 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.395 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -100.72 16.01 26.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.706 -173.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 32' ' ' ASP . 5.3 m -89.78 -17.71 27.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.836 -177.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.425 ' HB3' ' O ' ' A' ' 31' ' ' SER . 14.3 t70 71.36 -59.19 0.55 Allowed 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.739 0.649 . . . . 0.0 111.563 -179.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 31' ' ' SER . 7.5 pt20 -60.72 146.52 45.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.352 177.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -111.33 -178.28 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.718 -177.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.68 -19.93 41.78 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.485 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.585 ' HG ' ' HB2' ' A' ' 118' ' ' PRO . 6.7 mp -78.93 151.72 31.54 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.136 0.493 . . . . 0.0 111.197 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.446 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 39.3 m95 -110.72 147.13 35.03 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.221 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.617 ' OE1' ' HA ' ' A' ' 28' ' ' PRO . 11.3 pt-20 -136.3 163.6 30.05 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.553 0.216 . . . . 0.0 110.464 177.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.565 ' HZ ' HD23 ' A' ' 127' ' ' LEU . 96.5 m-85 -80.77 118.39 22.26 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 174.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.06 144.09 30.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.225 -177.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.05 -137.75 4.72 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.531 ' HA3' ' HG3' ' A' ' 57' ' ' GLU . . . 172.86 169.7 35.73 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.15 -1.024 . . . . 0.0 113.143 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -78.02 146.28 35.45 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.414 -0.393 . . . . 0.0 110.326 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.6 t -98.85 125.44 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.154 -175.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -88.79 145.72 35.47 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.71 1.16 2.39 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.548 2.165 . . . . 0.0 112.846 -176.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -106.56 -3.12 21.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.956 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.659 ' HB2' HE21 ' A' ' 52' ' ' GLN . 13.0 pt-20 -131.03 170.87 13.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.117 0.484 . . . . 0.0 111.569 -178.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.2 t -93.12 155.67 17.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.662 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -60.31 -49.35 77.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.857 0.361 . . . . 0.0 110.712 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 55' ' ' VAL . 73.5 mtt180 -62.36 -38.68 90.47 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.176 0.513 . . . . 0.0 110.199 176.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.659 HE21 ' HB2' ' A' ' 48' ' ' GLU . 27.2 tt0 -67.95 -40.05 83.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.381 -174.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.93 94.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.332 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.681 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 28.6 mt -60.23 -47.06 87.55 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.899 0.381 . . . . 0.0 110.773 176.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 51' ' ' ARG . 69.6 t -60.1 -46.93 93.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.335 -177.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -70.92 -39.85 72.46 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.203 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.531 ' HG3' ' HA3' ' A' ' 42' ' ' GLY . 5.1 mm-40 -63.55 -44.58 93.74 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 177.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 39.7 mt -66.31 -31.81 72.84 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.46 -178.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -62.82 -31.89 72.97 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.846 174.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -86.69 -39.85 15.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.225 -178.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.654 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 70.7 mm-40 -92.12 -43.49 9.34 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -176.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.684 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 65.7 mt -106.06 4.57 29.4 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.647 -173.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.28 25.5 26.27 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 114.765 0.666 . . . . 0.0 114.765 -178.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.4 pt -127.35 145.38 34.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 117.98 0.89 . . . . 0.0 111.988 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 35.4 mt-10 -93.67 95.07 8.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.123 -0.944 . . . . 0.0 108.626 174.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.22 156.97 22.89 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.221 0.534 . . . . 0.0 111.682 -174.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.49 ' O ' ' HD2' ' A' ' 92' ' ' PRO . 55.2 m -114.46 104.02 11.62 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.172 175.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.454 ' HB ' ' HB3' ' A' ' 51' ' ' ARG . 41.4 t -82.95 132.44 31.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.04 -176.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -137.03 -76.8 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.359 -0.924 . . . . 0.0 113.459 -175.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.637 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 15.7 pt-20 -91.06 131.6 36.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.443 0.64 . . . . 0.0 111.835 -172.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.627 ' HE1' ' HB3' ' A' ' 87' ' ' HIS . 11.7 t80 -83.16 134.25 34.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.795 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.479 HG13 HD22 ' A' ' 133' ' ' LEU . 97.0 t -95.17 -69.84 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.708 0.29 . . . . 0.0 111.253 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -158.43 175.26 13.93 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.46 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.8 154.08 51.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.473 176.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -143.8 144.58 31.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.73 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.504 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 75.0 mt-30 -113.16 135.15 54.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.138 0.494 . . . . 0.0 111.08 177.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.715 ' HD3' ' HB2' ' A' ' 122' ' ' ALA . 23.3 ptt180 -138.29 158.36 44.44 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 8.3 pt-20 -104.04 138.04 41.14 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 119.53 -0.868 . . . . 0.0 111.402 -176.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.705 ' HB ' HD11 ' A' ' 84' ' ' ILE . 3.3 p -119.7 95.58 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.641 174.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.9 m 47.41 68.41 0.65 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.864 -178.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 81.59 -14.71 28.69 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 121.009 -0.615 . . . . 0.0 114.553 178.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.552 ' HB2' HG13 ' A' ' 79' ' ' VAL . 89.0 mtt180 -102.28 148.83 24.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.635 0.717 . . . . 0.0 110.075 -178.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.526 HD13 ' HB3' ' A' ' 6' ' ' MET . 2.0 mp -104.56 115.75 47.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 120.781 0.324 . . . . 0.0 110.388 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.803 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -90.55 138.55 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.061 0.458 . . . . 0.0 110.29 177.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -117.61 100.75 7.84 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.62 -177.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 8.1 mp -88.8 129.96 35.46 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.812 0.339 . . . . 0.0 110.692 -177.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.627 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . 84.3 m-70 -111.46 112.91 24.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.786 178.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.79 117.25 29.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.754 0.311 . . . . 0.0 110.612 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -110.56 141.29 43.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.247 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.637 ' HB3' ' HG3' ' A' ' 70' ' ' GLU . 31.3 t-80 -85.99 123.04 30.87 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.9 t -90.02 106.55 14.92 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.812 0.339 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 71.7 Cg_endo -76.75 -27.55 7.19 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.924 2.416 . . . . 0.0 112.578 -177.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.532 ' HA ' HH12 ' A' ' 18' ' ' ARG . 5.1 t70 -159.95 154.62 24.2 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.667 0.27 . . . . 0.0 111.125 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -147.13 142.91 27.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.443 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 41.4 t60 -98.74 120.44 39.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.842 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.13 -159.71 18.74 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.506 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 32.1 m -121.86 126.96 49.91 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.68 HD23 ' H ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -77.6 120.85 23.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.274 0.559 . . . . 0.0 111.033 -172.38 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.684 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 3.4 pt20 -128.2 170.85 12.52 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.235 -177.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.579 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -114.08 117.53 31.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.862 0.363 . . . . 0.0 111.338 178.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.654 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 29.9 t-80 -90.49 -77.47 0.4 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.888 -179.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.64 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 18.4 mm-40 -83.87 -21.11 32.09 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.433 0.635 . . . . 0.0 110.635 -179.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.539 ' HA ' ' CB ' ' A' ' 27' ' ' ARG . 66.9 m80 -89.67 142.01 28.08 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.263 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -77.43 -56.89 4.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.885 0.374 . . . . 0.0 111.663 -171.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -118.33 154.75 31.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.987 -176.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.579 HD13 ' HB2' ' A' ' 100' ' ' ALA . 1.6 tp -131.55 126.03 33.82 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.77 145.07 35.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.97 0.414 . . . . 0.0 110.637 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.475 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 38.3 p90 -113.3 117.03 30.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.425 0.631 . . . . 0.0 109.452 173.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.433 ' SG ' HD13 ' A' ' 24' ' ' LEU . 24.6 p -137.46 156.86 47.66 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.318 -176.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.529 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 5.1 m -64.64 155.18 82.74 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -177.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.468 ' O ' HD11 ' A' ' 127' ' ' LEU . 3.1 Cg_endo -46.56 -50.63 10.14 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.244 2.63 . . . . 0.0 113.397 -177.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.14 -24.84 62.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.756 0.312 . . . . 0.0 111.372 -176.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.529 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 25.0 mm-40 -73.79 -37.3 65.0 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.77 -34.95 68.1 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.862 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.692 ' HG ' HD12 ' A' ' 127' ' ' LEU . 14.1 mt -76.47 -11.65 59.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.546 -178.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -85.97 -4.94 59.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.275 0.559 . . . . 0.0 109.977 176.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -94.08 160.12 32.85 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.287 176.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.585 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 59.6 Cg_endo -73.14 78.1 2.29 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.827 1.685 . . . . 0.0 111.838 175.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.501 HD12 HD23 ' A' ' 115' ' ' LEU . 71.6 mt -82.74 153.6 25.22 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.307 177.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.632 ' HB1' ' HD2' ' A' ' 121' ' ' PRO . . . -63.37 160.65 39.89 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.632 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 10.3 Cg_endo -51.8 -37.28 65.28 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.554 2.836 . . . . 0.0 114.19 -173.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.715 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -92.61 -13.88 28.98 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.87 -177.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.56 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.0 OUTLIER -78.93 -27.11 43.66 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.169 -175.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.65 ' O ' ' HG3' ' A' ' 128' ' ' GLU . 41.5 mm -62.28 -61.97 6.65 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.989 176.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.569 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 10.9 Cg_endo -55.64 -31.9 81.32 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 122.936 2.424 . . . . 0.0 113.348 178.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 70.7 mt -67.59 -40.01 84.8 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-O 121.066 0.46 . . . . 0.0 110.136 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.692 HD12 ' HG ' ' A' ' 115' ' ' LEU . 2.0 tm? -73.72 -37.39 65.15 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.457 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.65 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 36.4 mt-10 -57.39 -40.43 78.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.704 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.39 -26.0 51.38 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.395 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -69.91 -45.49 67.44 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.1 ptm -68.93 -33.4 73.66 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.731 175.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.33 -43.22 88.15 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-O 120.901 0.381 . . . . 0.0 110.952 171.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.561 ' HG ' ' HG3' ' A' ' 138' ' ' PRO . 2.7 mp -64.2 -42.49 96.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.685 -179.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -73.13 -21.88 60.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.804 -178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -92.16 -39.71 11.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.643 0.259 . . . . 0.0 111.599 -177.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -89.52 -31.45 17.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.157 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 64.05 101.76 0.04 OUTLIER Pre-proline 0 N--CA 1.465 0.292 0 O-C-N 124.069 0.856 . . . . 0.0 112.011 -178.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.561 ' HG3' ' HG ' ' A' ' 133' ' ' LEU . 73.8 Cg_endo -79.23 132.02 10.06 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 122.121 1.88 . . . . 0.0 111.321 174.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -75.19 -43.91 49.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.206 0.526 . . . . 0.0 110.067 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 30.0 t70 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.787 177.469 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.421 ' HA2' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.888 -0.485 . . . . 0.0 111.888 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.421 ' HD3' ' HA2' ' A' ' 1' ' ' GLY . 4.3 Cg_exo -78.04 25.02 0.52 Allowed 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 123.379 2.719 . . . . 0.0 112.921 -177.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 98.6 mt -79.91 82.41 6.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.233 0.54 . . . . 0.0 110.461 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.06 47.99 0.52 Allowed Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.219 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 p -68.82 -60.94 2.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.078 0.466 . . . . 0.0 111.458 -177.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.8 mmt -93.94 -177.92 4.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.683 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -118.13 142.28 47.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.14 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.8 mtm -100.4 139.31 36.27 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.33 0.586 . . . . 0.0 110.337 173.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.804 ' HB ' HG23 ' A' ' 84' ' ' ILE . 35.0 mt -104.78 114.54 44.66 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 176.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -88.75 126.7 35.45 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -174.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.695 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 87.2 t -130.37 117.35 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.04 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.548 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 3.4 m -97.99 132.72 42.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.498 -178.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.48 126.76 53.84 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -177.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.652 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -102.04 113.59 26.96 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.258 0.551 . . . . 0.0 109.732 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.503 HG23 HG23 ' A' ' 22' ' ' ILE . 7.5 mt -86.4 102.22 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.742 HG13 HD23 ' A' ' 23' ' ' LEU . 2.3 mm -81.37 100.8 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -177.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.699 ' HB3' ' NE2' ' A' ' 90' ' ' HIS . 4.4 tt0 -112.16 108.72 18.08 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 18' ' ' ARG . 4.3 tpt180 -130.72 130.48 43.87 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.067 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 64.0 17.27 10.49 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.629 0.581 . . . . 0.0 110.974 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.26 4.25 66.64 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.702 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 6.3 mmtt -112.4 143.69 43.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.979 0.389 . . . . 0.0 110.48 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.566 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 43.9 mt -104.46 146.33 11.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.863 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.742 HD23 HG13 ' A' ' 16' ' ' ILE . 63.1 tp -89.8 121.62 32.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.227 0.537 . . . . 0.0 111.627 -178.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.505 HD23 HD21 ' A' ' 119' ' ' LEU . 3.7 mp -112.3 138.78 48.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.109 174.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.06 121.32 31.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.029 0.443 . . . . 0.0 111.574 -176.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 29.6 tt0 -76.04 100.64 4.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.465 -177.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.59 ' HB3' ' CD2' ' A' ' 103' ' ' HIS . 1.9 tmt_? 159.33 115.64 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.489 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.545 ' HA ' ' OE1' ' A' ' 38' ' ' GLU . 44.5 Cg_endo -85.39 -151.0 0.04 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 122.151 1.901 . . . . 0.0 111.659 -172.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.46 -89.98 0.27 Allowed 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.532 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -116.87 13.67 15.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.97 0.414 . . . . 0.0 110.41 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.2 m -65.25 -29.98 70.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.592 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 64.12 27.67 14.1 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -177.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -115.77 126.11 53.61 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.501 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.02 142.46 28.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.583 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.65 -27.81 9.02 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.962 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.5 mt -80.09 154.13 28.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.906 0.384 . . . . 0.0 110.758 177.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.641 ' HD1' ' HG2' ' A' ' 118' ' ' PRO . 34.2 m95 -118.95 149.84 40.93 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.545 ' OE1' ' HA ' ' A' ' 28' ' ' PRO . 46.4 mt-10 -145.21 165.7 27.59 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 174.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.417 ' HE1' HG21 ' A' ' 22' ' ' ILE . 65.5 m-85 -73.04 143.48 47.48 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 177.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.01 153.25 42.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.901 0.382 . . . . 0.0 110.539 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 155.49 -134.0 3.99 Favored Glycine 0 N--CA 1.44 -1.037 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -175.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.511 ' HA3' ' OE2' ' A' ' 57' ' ' GLU . . . 163.71 -154.8 25.87 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 119.745 -1.216 . . . . 0.0 113.445 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.511 ' HE3' HG23 ' A' ' 9' ' ' ILE . 84.4 tttt -105.9 148.69 27.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.829 0.347 . . . . 0.0 110.606 -172.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.2 t -105.95 110.59 31.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -93.53 152.85 41.23 Favored Pre-proline 0 C--N 1.315 -0.923 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -67.94 19.73 0.13 Allowed 'Trans proline' 0 N--CA 1.478 0.562 0 C-N-CA 123.28 2.654 . . . . 0.0 114.724 -167.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -119.25 -3.94 10.51 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.925 0.393 . . . . 0.0 110.804 175.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -126.79 165.14 19.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.226 0.536 . . . . 0.0 111.742 -177.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.444 ' HB3' ' HB3' ' A' ' 52' ' ' GLN . 31.5 t -88.06 154.93 20.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.534 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -60.32 -47.59 85.36 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.816 0.341 . . . . 0.0 110.865 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.548 ' O ' HG23 ' A' ' 55' ' ' VAL . 86.1 mtm180 -66.46 -41.61 88.81 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 120.998 0.427 . . . . 0.0 109.884 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.444 ' HB3' ' HB3' ' A' ' 49' ' ' SER . 0.4 OUTLIER -69.2 -32.23 71.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.217 -175.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -59.8 -48.64 80.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.062 176.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.692 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.8 mt -62.24 -45.99 90.84 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.017 0.437 . . . . 0.0 110.392 177.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 51' ' ' ARG . 76.3 t -56.97 -46.57 83.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.928 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.611 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.8 ppt_? -76.03 -40.41 53.54 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.49 -177.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.511 ' OE2' ' HA3' ' A' ' 42' ' ' GLY . 7.3 mm-40 -59.48 -45.77 90.7 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.633 0.254 . . . . 0.0 111.353 178.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 23.6 mt -68.64 -33.89 74.78 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 121.194 0.521 . . . . 0.0 109.779 178.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 3.7 ttm180 -60.19 -35.8 76.21 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.037 175.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.611 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 24.9 mt-10 -87.62 -40.02 14.56 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.895 -177.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.632 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 3.1 mm-40 -88.16 -50.39 6.41 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.684 -179.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.707 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 55.0 mt -96.94 5.05 51.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.806 -170.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.88 27.79 30.05 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.205 -0.522 . . . . 0.0 114.367 -176.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.41 HG12 ' HB2' ' A' ' 62' ' ' LEU . 44.2 pt -129.3 135.78 60.98 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 CA-C-N 117.749 0.774 . . . . 0.0 111.561 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.566 ' HB2' ' HB3' ' A' ' 95' ' ' HIS . 27.1 mt-10 -91.6 94.85 9.61 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 176.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.498 ' O ' HG22 ' A' ' 55' ' ' VAL . . . -84.66 161.8 19.96 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.134 -172.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 93' ' ' ASP . 14.3 t -116.13 143.89 44.89 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 172.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.1 t -108.87 119.68 58.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -163.63 56.71 0.28 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 119.419 -1.372 . . . . 0.0 114.318 -174.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.552 ' HG3' ' HB3' ' A' ' 90' ' ' HIS . 12.2 pt-20 161.63 106.84 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.092 0.957 . . . . 0.0 109.621 177.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.503 ' HA ' ' CD1' ' A' ' 89' ' ' TRP . 80.9 t80 -80.4 131.14 35.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.803 -175.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 85.0 t -96.99 -71.19 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.525 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -161.86 -178.5 6.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 0.0 111.576 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.1 p -140.49 154.42 46.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.024 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.529 ' CD2' ' HA ' ' A' ' 122' ' ' ALA . 80.2 t60 -144.42 145.79 32.11 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 175.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.46 HE21 HG21 ' A' ' 83' ' ' ILE . 44.8 mt-30 -111.59 141.02 45.72 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.325 0.583 . . . . 0.0 111.559 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.614 ' HD3' ' HB2' ' A' ' 122' ' ' ALA . 33.3 ptt180 -146.5 158.77 43.95 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 106.5 -1.666 . . . . 0.0 106.5 176.04 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -112.89 151.04 30.95 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 119.342 -0.943 . . . . 0.0 111.082 -177.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.602 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.5 p -120.36 93.11 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 170.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.7 m 39.22 76.35 0.06 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.919 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.01 -24.34 9.24 Favored Glycine 0 CA--C 1.517 0.198 0 CA-C-N 115.811 -0.631 . . . . 0.0 114.242 175.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.492 ' HB2' HG13 ' A' ' 79' ' ' VAL . 73.7 mtt85 -93.62 133.61 36.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.455 0.628 . . . . 0.0 110.137 178.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.46 HG21 HE21 ' A' ' 76' ' ' GLN . 2.1 mp -93.94 113.69 29.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -176.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.804 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -88.28 129.27 39.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.196 0.522 . . . . 0.0 109.622 179.056 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -111.0 105.3 14.02 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.542 -173.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.695 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.3 mp -93.01 123.07 35.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.102 0.477 . . . . 0.0 111.448 -177.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -106.29 115.3 29.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.995 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -97.73 116.86 30.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.049 0.452 . . . . 0.0 111.064 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.503 ' CD1' ' HA ' ' A' ' 71' ' ' TYR . 1.7 m-90 -117.62 152.13 35.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.374 175.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.699 ' NE2' ' HB3' ' A' ' 17' ' ' GLU . 10.2 t-160 -99.69 127.54 45.81 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 173.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.1 m -90.8 107.83 23.36 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-O 121.149 0.499 . . . . 0.0 110.136 176.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.74 -23.43 19.3 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.581 2.188 . . . . 0.0 112.163 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.414 ' O ' HG22 ' A' ' 67' ' ' THR . 19.7 t70 -150.92 143.99 24.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 -177.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -137.25 167.85 20.77 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.654 177.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.566 ' HB3' ' HB2' ' A' ' 65' ' ' GLU . 10.5 t60 -122.75 119.87 31.93 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -177.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.75 -156.8 15.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.24 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 87.4 m -124.32 132.2 53.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.519 HD23 ' H ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -73.99 120.37 19.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.28 0.562 . . . . 0.0 110.936 -174.364 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.707 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 11.0 pt20 -131.18 171.07 13.72 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.565 -178.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.754 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -113.75 109.35 18.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.047 0.451 . . . . 0.0 111.415 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.632 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 36.8 t60 -86.46 -67.52 0.81 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.774 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.47 ' HB2' ' CD ' ' A' ' 61' ' ' GLU . 16.7 mt-10 -93.19 -36.99 12.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.356 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.59 ' CD2' ' HB3' ' A' ' 27' ' ' ARG . 67.3 m80 -69.02 144.96 53.92 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 173.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -86.0 -68.27 0.75 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.771 -0.371 . . . . 0.0 111.637 -171.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.462 ' O ' HD12 ' A' ' 106' ' ' LEU . . . -110.67 149.2 30.79 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.754 HD13 ' HB2' ' A' ' 100' ' ' ALA . 6.1 mp -129.64 134.42 47.67 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 120.912 0.387 . . . . 0.0 110.249 -178.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.1 m -127.59 143.66 39.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.596 178.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 7.6 p90 -110.97 117.0 32.16 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.501 173.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 113' ' ' GLU . 29.0 p -142.4 156.12 45.18 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.982 -178.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 m -61.17 156.8 47.53 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.464 ' O ' HD11 ' A' ' 127' ' ' LEU . 1.4 Cg_endo -46.6 -46.37 17.83 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.815 2.343 . . . . 0.0 112.806 177.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.53 -33.03 74.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.48 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.447 ' HA ' ' OE1' ' A' ' 116' ' ' GLN . 19.1 mm-40 -72.66 -35.94 67.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.286 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.07 -38.71 76.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.262 -175.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.725 HD11 HG23 ' A' ' 124' ' ' ILE . 0.2 OUTLIER -72.82 -11.12 60.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.554 0.216 . . . . 0.0 111.324 -175.781 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.447 ' OE1' ' HA ' ' A' ' 113' ' ' GLU . 50.5 mt-30 -82.02 -10.18 59.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.864 0.364 . . . . 0.0 110.758 176.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -93.52 160.44 32.98 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.866 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.641 ' HG2' ' HD1' ' A' ' 37' ' ' TRP . 68.0 Cg_endo -72.35 72.07 2.95 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.201 1.934 . . . . 0.0 111.473 178.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.632 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 76.8 mt -79.87 151.54 30.13 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 176.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.539 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -61.34 155.06 59.86 Favored Pre-proline 0 C--N 1.327 -0.409 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.746 178.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.5 -4.65 4.54 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.082 2.522 . . . . 0.0 112.891 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.614 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -99.25 -31.44 11.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.775 0.321 . . . . 0.0 110.44 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.539 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.6 m-20 -79.61 -25.09 41.57 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.676 -175.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.725 HG23 HD11 ' A' ' 115' ' ' LEU . 85.4 mt -61.92 -58.67 16.53 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.17 178.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.482 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 11.4 Cg_endo -57.71 -26.42 73.04 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 122.541 2.161 . . . . 0.0 112.874 176.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 97.3 mt -73.82 -45.59 50.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.099 0.476 . . . . 0.0 109.932 179.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.563 HD12 HD23 ' A' ' 115' ' ' LEU . 3.1 tm? -69.56 -38.16 77.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.75 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -49.6 -45.92 48.56 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.892 175.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.541 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -84.27 -14.28 50.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.65 -178.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -76.43 -46.94 24.87 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 27.1 ptm -70.15 -29.2 66.05 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.588 175.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -64.38 -40.17 95.29 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 120.677 0.275 . . . . 0.0 110.834 171.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.56 -39.36 84.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.553 -177.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.439 ' HD2' ' OE2' ' A' ' 17' ' ' GLU . 19.2 mtp180 -70.52 -24.32 62.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.406 178.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.12 -35.3 15.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.78 -177.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -95.8 -40.02 9.55 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? 59.29 85.22 0.19 Allowed Pre-proline 0 N--CA 1.465 0.311 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.21 -176.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.25 174.85 12.12 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.826 2.351 . . . . 0.0 111.961 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -107.96 -75.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.289 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--O 1.245 0.866 0 CA-C-O 118.886 -0.578 . . . . 0.0 109.869 177.382 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.79 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -65.32 157.78 56.03 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.85 2.367 . . . . 0.0 112.05 178.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.1 tp -81.06 77.44 7.96 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.452 0.644 . . . . 0.0 110.889 -177.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.56 54.83 0.5 Allowed Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.168 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 t -83.02 81.98 8.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.242 0.544 . . . . 0.0 111.133 -174.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.6 mtp -95.43 52.66 1.41 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 171.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -67.39 157.92 32.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.072 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.403 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 52.2 mtt -95.29 134.25 38.27 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.838 176.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.595 ' HB ' HG23 ' A' ' 84' ' ' ILE . 19.7 mt -104.97 110.31 30.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 177.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -95.27 125.19 39.73 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 120.259 -0.576 . . . . 0.0 109.525 -173.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 98.8 t -127.86 125.66 65.34 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.421 ' HB ' ' HG ' ' A' ' 54' ' ' LEU . 2.7 m -98.54 130.25 47.65 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.4 125.21 52.16 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 -176.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.545 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -100.85 113.13 25.79 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.352 -177.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.52 HG23 HG23 ' A' ' 22' ' ' ILE . 6.3 mt -91.45 100.04 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.238 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.813 HG13 HD23 ' A' ' 23' ' ' LEU . 2.6 mm -84.19 101.36 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.6 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . 5.2 tm-20 -119.52 120.91 38.14 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -176.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -148.36 137.51 21.88 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.383 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 66.95 17.46 10.52 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.415 0.447 . . . . 0.0 111.221 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.4 10.98 72.88 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.569 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.539 ' O ' ' HA ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -119.18 149.55 41.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 117.06 0.43 . . . . 0.0 110.358 176.526 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.52 HG23 HG23 ' A' ' 15' ' ' ILE . 41.0 mt -107.51 139.77 28.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.108 177.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.813 HD23 HG13 ' A' ' 16' ' ' ILE . 41.3 tp -77.24 114.98 16.64 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.276 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.626 ' HB3' ' HB3' ' A' ' 37' ' ' TRP . 22.9 mt -109.54 136.24 49.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.9 173.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.476 ' HB1' ' CB ' ' A' ' 103' ' ' HIS . . . -118.19 120.37 37.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.994 -177.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.57 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -73.45 105.81 4.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.733 -177.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.57 ' HB2' ' O ' ' A' ' 26' ' ' GLN . 3.8 tmt_? 167.37 103.39 0.03 OUTLIER Pre-proline 0 C--O 1.221 -0.422 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 174.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.428 ' HA ' ' OE1' ' A' ' 38' ' ' GLU . 53.9 Cg_endo -86.56 -153.42 0.04 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 122.149 1.899 . . . . 0.0 111.618 -172.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.83 -82.76 0.26 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.658 -175.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -116.01 18.26 15.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.0 0.428 . . . . 0.0 110.822 -175.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.7 m -96.49 107.83 20.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.515 -174.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -72.69 0.21 11.35 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.088 0.471 . . . . 0.0 111.105 178.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -77.95 -25.53 48.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.939 -175.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 59.21 -168.56 0.15 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.407 -177.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.7 -26.48 5.25 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 121.139 -0.553 . . . . 0.0 113.194 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.492 ' HA ' ' HG2' ' A' ' 118' ' ' PRO . 17.8 mt -77.32 147.23 36.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.709 0.29 . . . . 0.0 111.183 -177.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.626 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 39.4 m95 -116.43 153.25 32.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.428 ' OE1' ' HA ' ' A' ' 28' ' ' PRO . 8.6 pt-20 -153.11 175.73 12.69 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.45 ' CD1' HG12 ' A' ' 15' ' ' ILE . 89.7 m-85 -83.38 150.01 26.35 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.52 161.92 27.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.92 -134.48 4.73 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.56 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.553 ' HA3' ' OE2' ' A' ' 57' ' ' GLU . . . 163.25 -179.55 38.35 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.21 -0.995 . . . . 0.0 113.121 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -80.27 148.69 30.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.936 0.398 . . . . 0.0 110.527 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.4 t -102.0 124.99 56.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.673 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -82.48 147.87 57.29 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 175.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.29 -5.29 5.02 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 122.755 2.303 . . . . 0.0 113.28 -177.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -106.87 5.23 28.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.616 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -135.36 155.63 50.27 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 177.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.6 t -90.31 166.85 13.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.773 0.321 . . . . 0.0 110.655 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -60.45 -43.24 97.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.34 -176.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -64.66 -42.75 95.19 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.391 0.615 . . . . 0.0 109.783 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -65.31 -41.42 94.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.646 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.15 -45.84 91.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.674 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.702 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 37.5 mt -60.63 -47.13 87.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.889 0.376 . . . . 0.0 110.717 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 65.2 t -59.11 -48.64 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.226 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.558 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 5.6 ppt_? -70.32 -41.76 72.85 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.364 -177.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.553 ' OE2' ' HA3' ' A' ' 42' ' ' GLY . 5.1 mm-40 -60.4 -47.27 86.82 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 31.5 mt -66.96 -33.33 75.35 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.081 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -61.2 -35.74 78.01 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.204 175.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 23.9 mt-10 -86.88 -36.71 18.26 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.275 -177.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.569 ' HG2' ' HG2' ' A' ' 102' ' ' GLU . 4.2 mt-10 -86.24 -53.99 4.71 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.644 179.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.706 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 50.5 mt -99.16 2.92 46.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.187 -168.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 50.39 30.15 18.2 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 114.403 0.521 . . . . 0.0 114.403 -174.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.601 HG12 ' HB2' ' A' ' 62' ' ' LEU . 42.8 pt -121.27 142.73 36.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 117.793 0.797 . . . . 0.0 111.449 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -96.41 98.28 10.13 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.358 174.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.658 ' HB1' ' HH2' ' A' ' 89' ' ' TRP . . . -88.33 156.47 19.15 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.191 0.52 . . . . 0.0 112.04 -173.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.8 m -112.79 113.77 26.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.305 176.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.9 t -89.32 133.05 32.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.404 0.145 . . . . 0.0 110.848 -176.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . 175.16 62.06 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.707 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 70' ' ' GLU . 11.2 pt-20 155.09 99.24 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.519 1.127 . . . . 0.0 109.766 -178.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.506 ' CD1' ' HB2' ' A' ' 89' ' ' TRP . 46.8 m-85 -95.95 146.11 24.87 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.908 -0.495 . . . . 0.0 111.0 -178.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.439 HG13 HD12 ' A' ' 133' ' ' LEU . 61.8 t -93.15 -69.65 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.888 -175.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -155.48 172.7 17.8 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.343 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.1 m -130.91 150.92 51.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.387 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -145.1 148.75 33.99 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -110.83 140.69 45.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.041 0.448 . . . . 0.0 111.285 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.712 HH11 ' HB3' ' A' ' 122' ' ' ALA . 27.9 ptt180 -144.51 167.31 22.8 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 174.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -120.59 149.74 41.98 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 119.118 -1.033 . . . . 0.0 111.952 -179.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.667 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.6 p -121.99 95.96 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.177 -0.92 . . . . 0.0 108.899 173.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.5 p 43.97 71.87 0.22 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.156 -176.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.38 -22.64 8.34 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 120.97 -0.633 . . . . 0.0 114.388 176.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.48 ' HB2' HG13 ' A' ' 79' ' ' VAL . 72.1 mtt85 -93.95 137.86 32.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 117.523 0.662 . . . . 0.0 110.225 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.405 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.0 mp -95.35 114.91 33.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.14 0.495 . . . . 0.0 110.494 -176.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.667 HD11 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -89.48 128.4 41.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.352 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -108.86 106.56 16.6 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.713 -177.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.55 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 7.5 mp -99.87 128.46 45.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.654 0.264 . . . . 0.0 110.698 -179.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -119.64 116.92 26.98 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 175.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.58 133.58 34.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.924 0.392 . . . . 0.0 111.067 -178.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.658 ' HH2' ' HB1' ' A' ' 66' ' ' ALA . 6.9 t90 -129.66 135.8 48.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.541 -178.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.6 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 35.8 t-80 -92.83 132.41 37.01 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.648 HG12 ' HA ' ' A' ' 16' ' ' ILE . 7.4 p -89.14 110.91 41.75 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-O 121.486 0.66 . . . . 0.0 111.46 -175.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 56.3 Cg_endo -73.95 -28.47 11.15 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.596 2.197 . . . . 0.0 111.926 177.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -158.19 142.23 15.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.734 -178.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 38.5 p90 -146.54 141.18 26.75 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.815 176.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -110.09 119.69 40.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.541 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 131.19 -167.08 22.57 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.269 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.7 m -119.69 122.31 41.21 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.575 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -76.41 124.12 27.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.695 0.76 . . . . 0.0 111.299 -172.165 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.706 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 12.3 pt20 -132.0 169.61 16.09 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.367 -177.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' A' ' 103' ' ' HIS . . . -111.24 119.61 39.51 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.879 0.371 . . . . 0.0 111.086 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -110.19 -56.85 2.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.511 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.569 ' HG2' ' HG2' ' A' ' 61' ' ' GLU . 47.1 mm-40 -83.16 -45.63 13.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.676 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.548 ' CD2' ' HB3' ' A' ' 27' ' ' ARG . 75.2 m80 -80.9 163.42 23.38 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 171.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -87.02 -65.57 1.0 Allowed 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -171.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.68 164.76 20.57 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 122.323 -0.235 . . . . 0.0 111.266 -175.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.504 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.8 mm? -119.52 139.78 51.57 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.0 p -132.23 140.61 47.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.669 0.271 . . . . 0.0 110.658 171.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -99.92 111.04 23.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.877 0.37 . . . . 0.0 110.639 176.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 12.8 p -129.22 148.15 51.13 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.382 177.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.563 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 2.7 m -60.7 160.44 19.54 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.517 -179.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.632 ' O ' HD11 ' A' ' 127' ' ' LEU . 5.1 Cg_endo -47.97 -54.49 5.13 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.866 2.377 . . . . 0.0 112.815 177.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.55 -27.19 65.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.723 0.297 . . . . 0.0 111.373 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.563 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 70.2 mm-40 -73.21 -35.31 66.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.19 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.61 -38.68 85.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.772 -177.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.622 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -73.33 -14.03 61.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.105 0.478 . . . . 0.0 110.572 -177.332 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -83.52 -11.79 57.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.199 0.523 . . . . 0.0 110.119 175.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -87.15 162.35 43.73 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.543 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.492 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 58.3 Cg_endo -72.58 79.07 1.93 Allowed 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 121.927 1.751 . . . . 0.0 112.167 177.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.453 HD12 HD22 ' A' ' 115' ' ' LEU . 73.0 mt -86.66 153.88 21.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.608 177.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.496 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -65.72 155.77 85.09 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.751 178.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.414 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 9.7 Cg_endo -52.8 -30.03 45.28 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.524 2.816 . . . . 0.0 114.247 -175.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.712 ' HB3' HH11 ' A' ' 77' ' ' ARG . . . -93.02 -18.03 23.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.975 0.417 . . . . 0.0 111.117 -178.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.496 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.2 m-20 -81.69 -24.1 36.43 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.483 -176.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.614 HG23 HD11 ' A' ' 115' ' ' LEU . 77.2 mt -61.21 -59.61 13.18 Favored Pre-proline 0 CA--C 1.54 0.592 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.846 176.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.497 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 10.3 Cg_endo -53.6 -30.7 56.35 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.925 2.417 . . . . 0.0 113.119 177.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 122' ' ' ALA . 98.6 mt -71.19 -46.85 60.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.132 0.491 . . . . 0.0 110.178 -178.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.632 HD11 ' O ' ' A' ' 111' ' ' PRO . 3.3 tm? -72.15 -37.79 69.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.086 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.57 -40.37 65.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.137 177.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.73 -26.02 40.92 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 120.554 -0.459 . . . . 0.0 111.273 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.486 ' HB3' HD22 ' A' ' 127' ' ' LEU . 86.8 t80 -65.95 -45.83 80.35 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 15.4 ptp -69.46 -37.42 77.32 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.988 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.48 -44.18 89.27 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.077 0.465 . . . . 0.0 111.432 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.439 HD12 HG13 ' A' ' 72' ' ' VAL . 45.1 mt -64.49 -45.4 87.5 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.032 -177.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 36.7 mtp85 -75.88 -16.9 59.97 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.763 -177.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.96 -38.29 12.35 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 177.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -92.48 -21.43 20.16 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -175.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 137' ' ' ARG . 13.2 ptm180 39.72 75.85 0.54 Allowed Pre-proline 0 N--CA 1.473 0.685 0 C-N-CA 123.99 0.916 . . . . 0.0 112.464 -178.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -64.74 142.48 76.77 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.481 2.121 . . . . 0.0 112.381 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.2 -61.23 2.38 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.472 177.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.303 -0.856 . . . . 0.0 109.465 175.434 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.87 -4.61 15.41 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.836 2.357 . . . . 0.0 112.736 -177.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -94.37 125.47 39.03 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 177.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.48 47.16 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.552 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 m -121.43 128.7 52.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.633 0.254 . . . . 0.0 110.556 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.483 ' O ' ' HG3' ' A' ' 6' ' ' MET . 26.3 ptt? -158.1 94.46 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.83 0.824 . . . . 0.0 110.116 175.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -88.56 158.98 18.12 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.107 178.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.457 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 70.3 mtm -102.43 138.12 39.77 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.385 0.612 . . . . 0.0 111.185 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.81 ' HB ' HG23 ' A' ' 84' ' ' ILE . 42.1 mt -112.75 117.93 56.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 114.704 -1.135 . . . . 0.0 108.294 178.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -92.62 124.64 36.79 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -175.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 57.9 t -125.49 128.02 72.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -179.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.482 ' HB ' HD21 ' A' ' 54' ' ' LEU . 3.1 m -106.96 128.95 61.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.301 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.39 124.1 51.66 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.86 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.516 ' HB2' HD22 ' A' ' 54' ' ' LEU . . . -101.82 112.77 25.49 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.443 -177.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.547 HG23 HG23 ' A' ' 22' ' ' ILE . 7.5 mt -92.79 100.25 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.14 177.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.75 HD13 HG21 ' A' ' 91' ' ' VAL . 1.2 mm -81.37 101.78 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.479 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . 6.1 tm-20 -123.35 124.02 42.02 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.182 0.515 . . . . 0.0 109.697 -174.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -145.46 137.71 25.68 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.376 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 67.99 2.63 3.22 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.645 0.59 . . . . 0.0 112.183 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.98 10.02 40.99 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.288 -0.958 . . . . 0.0 112.134 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -123.14 144.97 48.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.817 0.341 . . . . 0.0 110.184 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.547 HG23 HG23 ' A' ' 15' ' ' ILE . 35.3 mt -106.51 149.07 10.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.886 -175.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.662 ' HB2' ' HB ' ' A' ' 16' ' ' ILE . 1.4 tt -85.74 120.06 26.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.29 178.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.495 HD13 ' SG ' ' A' ' 109' ' ' CYS . 7.3 mp -118.01 134.28 55.12 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.907 175.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.91 126.36 53.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.475 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.418 ' O ' ' HB3' ' A' ' 27' ' ' ARG . 29.5 tt0 -79.38 145.6 33.29 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 175.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.418 ' HB3' ' O ' ' A' ' 26' ' ' GLN . 3.1 tmt_? 83.14 108.08 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 O-C-N 124.652 1.22 . . . . 0.0 108.515 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.446 ' CG ' ' HB2' ' A' ' 31' ' ' SER . 45.9 Cg_endo -85.72 -151.92 0.04 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.242 2.628 . . . . 0.0 112.109 -169.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.408 ' H ' ' HB2' ' A' ' 28' ' ' PRO . . . -114.4 -59.58 2.0 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -176.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -93.99 -9.77 35.83 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -175.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.446 ' HB2' ' CG ' ' A' ' 28' ' ' PRO . 50.9 m -99.27 134.7 41.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.94 0.4 . . . . 0.0 110.923 -178.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -91.39 3.1 55.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.567 0.699 . . . . 0.0 110.947 -177.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.28 138.0 34.52 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.113 -177.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.8 173.98 6.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.486 -172.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.92 -25.81 12.86 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.543 177.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.497 HD23 ' HB2' ' A' ' 118' ' ' PRO . 17.3 mt -76.66 150.78 36.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.783 0.325 . . . . 0.0 111.299 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.473 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 50.1 m95 -115.35 148.79 38.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.363 176.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -140.73 163.61 32.43 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 175.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.465 ' HZ ' HD23 ' A' ' 127' ' ' LEU . 68.7 m-85 -76.24 159.18 30.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 174.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.459 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -82.21 164.88 20.92 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.316 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.15 -133.09 5.49 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.578 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' O ' HG13 ' A' ' 11' ' ' VAL . . . 160.16 -146.23 12.34 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.525 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.548 ' HG2' ' N ' ' A' ' 44' ' ' VAL . 54.7 tttt -111.36 153.99 25.22 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.931 0.396 . . . . 0.0 110.316 -175.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.548 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 38.3 t -106.77 106.29 20.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.256 177.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -68.12 150.1 97.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 176.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -60.85 0.93 0.66 Allowed 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 123.072 2.515 . . . . 0.0 114.595 -172.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -108.91 -15.48 14.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.992 0.425 . . . . 0.0 111.946 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.408 ' HG3' HG13 ' A' ' 44' ' ' VAL . 17.2 pt-20 -108.52 159.73 16.47 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.962 -176.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.5 t -93.47 165.05 12.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.422 -178.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -59.19 -55.07 39.65 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 122.401 0.28 . . . . 0.0 111.154 -178.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.479 ' HG2' HG11 ' A' ' 68' ' ' VAL . 76.5 mtt180 -62.56 -36.78 83.74 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.382 -179.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.479 HE21 ' HB2' ' A' ' 52' ' ' GLN . 1.5 tt0 -67.99 -40.67 83.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.207 -178.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.07 -48.25 81.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.83 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.616 ' O ' HD13 ' A' ' 58' ' ' LEU . 28.1 mt -61.75 -44.34 97.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.68 0.276 . . . . 0.0 110.736 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.23 -45.98 97.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.241 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.633 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.0 ppt_? -75.05 -40.11 60.56 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.649 -176.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.12 -53.75 54.8 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.638 0.256 . . . . 0.0 111.385 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.616 HD13 ' O ' ' A' ' 54' ' ' LEU . 9.2 mp -59.14 -35.49 73.58 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-O 120.651 0.262 . . . . 0.0 111.12 176.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -61.84 -33.75 74.73 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.724 0.297 . . . . 0.0 111.065 176.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.633 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 29.1 mt-10 -87.71 -41.04 13.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.896 0.379 . . . . 0.0 111.002 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.5 ' HA ' ' HB3' ' A' ' 101' ' ' HIS . 81.8 mm-40 -87.88 -49.7 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -176.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.681 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 65.2 mt -99.85 3.78 44.83 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.815 -173.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.32 25.47 26.43 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 121.203 -0.522 . . . . 0.0 114.383 -175.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.561 HG12 ' HB2' ' A' ' 62' ' ' LEU . 42.8 pt -119.23 144.47 27.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 117.763 0.781 . . . . 0.0 111.763 -178.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -100.81 101.15 11.93 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.482 174.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.577 ' HA ' ' HA ' ' A' ' 94' ' ' PHE . . . -96.44 157.92 15.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.595 -170.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.5 m -110.44 111.0 21.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.293 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.54 ' HA ' ' CE2' ' A' ' 89' ' ' TRP . 33.9 t -84.84 140.17 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 -175.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.15 -73.51 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.775 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -92.54 121.55 34.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.366 0.603 . . . . 0.0 112.28 -172.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 89' ' ' TRP . 58.2 m-85 -92.57 146.44 23.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.714 177.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.0 t -93.59 -68.46 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.945 -178.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.1 176.48 9.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.745 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.9 m -142.5 143.68 32.65 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -137.43 137.86 39.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.536 -173.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -110.0 145.52 36.85 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.427 0.632 . . . . 0.0 111.262 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.576 ' HG3' HG13 ' A' ' 84' ' ' ILE . 35.3 ptt180 -155.69 175.35 14.03 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 176.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -120.02 150.95 39.73 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.461 -0.895 . . . . 0.0 111.891 177.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.633 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.6 p -122.05 96.19 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 171.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.9 p 46.52 71.02 0.33 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.955 -175.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.31 -23.03 6.54 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.761 -0.733 . . . . 0.0 114.466 175.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -95.51 137.25 34.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.516 0.658 . . . . 0.0 110.334 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' A' ' 8' ' ' MET . 2.1 mp -94.54 116.68 36.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.944 0.402 . . . . 0.0 110.593 -174.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.81 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -92.24 135.81 26.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.262 0.553 . . . . 0.0 110.712 178.381 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -117.89 102.14 8.85 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.622 -176.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.59 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 6.5 mp -93.92 130.52 39.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.837 0.351 . . . . 0.0 111.153 -176.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -111.58 114.73 27.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.455 177.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -91.56 118.42 30.59 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.698 0.285 . . . . 0.0 110.536 178.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.574 ' HH2' ' HB1' ' A' ' 66' ' ' ALA . 4.2 t90 -113.73 132.83 55.67 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.722 -178.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.55 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 13.7 t-80 -87.63 125.78 34.57 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 176.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.75 HG21 HD13 ' A' ' 16' ' ' ILE . 24.1 t -87.28 107.87 16.79 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-O 120.825 0.345 . . . . 0.0 110.274 -174.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.55 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 91.0 Cg_endo -82.32 -21.02 5.65 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.693 2.262 . . . . 0.0 111.816 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -158.19 137.68 11.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.536 -176.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.577 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 28.9 p90 -149.99 140.08 22.07 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.826 177.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -113.33 138.5 49.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.535 -177.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.44 -161.65 13.26 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 -177.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.8 m -123.96 129.0 50.24 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 117.101 0.451 . . . . 0.0 109.912 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.523 ' HG ' ' H ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -78.89 122.43 26.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.571 0.7 . . . . 0.0 111.077 -175.192 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.681 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 13.6 pt20 -134.95 168.67 18.66 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.515 -1.221 . . . . 0.0 108.899 -177.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -107.93 123.56 48.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.896 0.379 . . . . 0.0 111.65 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.5 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 19.9 t-80 -95.55 -70.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.267 176.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -80.41 -34.54 36.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.452 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -81.44 166.47 20.34 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -83.0 -68.81 0.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.843 0.354 . . . . 0.0 111.546 -174.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -136.65 166.28 23.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.632 -176.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.405 HD12 HD21 ' A' ' 23' ' ' LEU . 1.5 mm? -116.13 140.12 49.62 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.8 p -130.62 139.18 51.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 173.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -101.14 114.43 28.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.157 175.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.495 ' SG ' HD13 ' A' ' 24' ' ' LEU . 25.2 p -135.6 152.45 51.26 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.119 177.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.528 ' HB3' ' HD2' ' A' ' 111' ' ' PRO . 15.1 m -71.88 161.88 76.35 Favored Pre-proline 0 C--N 1.319 -0.717 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.33 -176.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 110' ' ' SER . 5.1 Cg_endo -47.35 -53.26 6.66 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.234 2.623 . . . . 0.0 113.852 -176.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.464 ' CD ' ' H ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -69.37 -24.22 63.85 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.288 -177.372 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.462 ' O ' ' HD1' ' A' ' 117' ' ' TYR . 52.1 mm-40 -72.15 -42.92 65.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.739 174.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.05 81.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.18 -173.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.658 HD23 ' HB3' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -76.39 -7.98 56.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.991 0.424 . . . . 0.0 110.765 -176.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -93.47 -1.7 55.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.089 0.471 . . . . 0.0 110.194 173.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.462 ' HD1' ' O ' ' A' ' 113' ' ' GLU . 34.2 m-85 -94.71 158.85 34.62 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.607 176.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.497 ' HB2' HD23 ' A' ' 36' ' ' LEU . 57.0 Cg_endo -71.65 76.01 1.99 Allowed 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.187 1.925 . . . . 0.0 112.125 178.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.473 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 70.5 mt -81.34 152.72 27.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.12 176.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.51 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -62.44 153.5 76.44 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.316 176.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -56.87 -19.16 30.51 Favored 'Trans proline' 0 CA--C 1.534 0.522 0 C-N-CA 123.004 2.469 . . . . 0.0 113.676 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.456 ' HB1' HD22 ' A' ' 86' ' ' LEU . . . -90.39 -23.91 20.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.714 0.293 . . . . 0.0 110.878 178.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.51 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.1 m-20 -81.59 -22.59 37.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.576 -175.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.456 ' HB ' ' CD ' ' A' ' 125' ' ' PRO . 48.2 mm -61.86 -59.58 12.81 Favored Pre-proline 0 CA--C 1.537 0.475 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.066 -177.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.456 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 19.7 Cg_endo -59.67 -25.69 79.81 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.455 2.103 . . . . 0.0 112.677 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 91.3 mt -76.15 -45.8 31.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.833 0.349 . . . . 0.0 110.297 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.658 ' HB3' HD23 ' A' ' 115' ' ' LEU . 2.9 tm? -71.42 -35.62 71.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.776 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -49.99 -47.8 52.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 175.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.504 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -79.8 -15.21 57.88 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.728 -178.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.423 ' HB3' HD22 ' A' ' 127' ' ' LEU . 55.9 t80 -76.25 -47.85 22.36 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 25.6 ptm -67.78 -35.78 79.28 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.676 175.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.504 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -57.48 -43.88 84.44 Favored 'General case' 0 C--N 1.338 0.101 0 CA-C-O 120.93 0.395 . . . . 0.0 111.148 170.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 137' ' ' ARG . 1.1 tp -66.24 -32.48 73.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.211 -176.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -85.5 -18.61 32.98 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.644 -0.423 . . . . 0.0 111.643 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.16 -39.14 12.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.977 0.418 . . . . 0.0 110.706 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -86.72 -27.15 23.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.097 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.45 ' HA ' ' HD2' ' A' ' 138' ' ' PRO . 34.4 ptt180 46.49 95.78 0.04 OUTLIER Pre-proline 0 N--CA 1.471 0.607 0 C-N-CA 125.039 1.336 . . . . 0.0 113.522 178.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.45 ' HD2' ' HA ' ' A' ' 137' ' ' ARG . 59.2 Cg_endo -71.81 125.55 11.16 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.3 2.0 . . . . 0.0 110.758 173.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.85 -69.17 0.32 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.82 0.343 . . . . 0.0 111.414 -175.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 C--O 1.252 1.208 0 CA-C-O 118.404 -0.807 . . . . 0.0 109.774 178.947 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 111.992 -0.443 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.566 ' HG2' HD22 ' A' ' 3' ' ' LEU . 50.3 Cg_endo -71.81 -36.13 6.63 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.455 2.104 . . . . 0.0 112.231 -179.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.566 HD22 ' HG2' ' A' ' 2' ' ' PRO . 3.2 mm? -85.4 -70.17 0.61 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.092 0.472 . . . . 0.0 110.347 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.81 19.41 57.97 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.113 -176.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 m -69.26 96.11 0.82 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.051 0.453 . . . . 0.0 110.066 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.483 ' HB3' HD13 ' A' ' 83' ' ' ILE . 59.1 mtm -126.11 123.22 37.84 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.07 -176.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -92.98 160.78 14.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.883 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.414 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 62.4 mtt -109.06 139.52 43.84 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.731 0.777 . . . . 0.0 112.286 -172.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.757 ' HB ' HG23 ' A' ' 84' ' ' ILE . 24.1 mt -108.5 116.69 52.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 114.268 -1.333 . . . . 0.0 107.729 173.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -94.37 123.77 37.98 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 -171.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.63 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 97.1 t -132.08 123.64 51.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.206 0.527 . . . . 0.0 109.758 -178.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.474 ' HB ' HD21 ' A' ' 54' ' ' LEU . 3.9 m -99.11 133.95 39.89 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.953 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 88' ' ' ALA . . . -119.54 131.46 55.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.138 0.494 . . . . 0.0 110.816 -174.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.499 ' HA ' ' CD1' ' A' ' 89' ' ' TRP . . . -102.54 121.1 41.69 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.163 -176.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.5 HG23 HG23 ' A' ' 22' ' ' ILE . 5.4 mt -98.24 100.41 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.779 HD13 HG21 ' A' ' 91' ' ' VAL . 1.2 mm -83.47 101.99 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 -178.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HB3' ' CD2' ' A' ' 90' ' ' HIS . 4.5 tm-20 -112.84 121.02 43.45 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -176.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.71 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -147.51 137.12 22.72 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 175.69 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 65.04 19.78 11.91 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.395 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.45 9.33 79.33 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.864 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -121.15 145.27 47.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.916 0.388 . . . . 0.0 110.559 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.5 HG23 HG23 ' A' ' 15' ' ' ILE . 26.4 mt -105.25 149.64 8.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.26 -178.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.744 HD23 HG13 ' A' ' 16' ' ' ILE . 57.2 tp -88.31 118.06 27.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.072 0.463 . . . . 0.0 111.2 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.411 HD13 ' SG ' ' A' ' 109' ' ' CYS . 6.6 mp -112.7 139.02 48.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.686 176.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.487 ' HB1' ' CB ' ' A' ' 103' ' ' HIS . . . -119.98 120.03 35.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.96 0.41 . . . . 0.0 111.137 -178.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.406 ' HB3' ' H ' ' A' ' 105' ' ' ALA . 19.9 tt0 -70.15 113.21 7.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.825 -176.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.543 ' HB3' ' CD2' ' A' ' 103' ' ' HIS . 1.0 OUTLIER 176.84 115.42 0.14 Allowed Pre-proline 0 C--O 1.219 -0.507 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 176.292 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.653 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 64.4 Cg_endo -75.52 -30.86 6.05 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.018 1.812 . . . . 0.0 112.263 -178.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 65.15 -77.33 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.834 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -96.53 8.81 43.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.44 -174.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.653 ' HB2' ' HB2' ' A' ' 28' ' ' PRO . 57.4 m -115.13 -27.45 7.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.89 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 61.78 12.36 4.65 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -101.04 101.11 11.81 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 177.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.69 139.0 58.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.268 -176.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.24 -21.54 13.04 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.296 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.488 ' HA ' ' HG2' ' A' ' 118' ' ' PRO . 5.2 mp -76.55 148.21 37.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.975 0.417 . . . . 0.0 111.314 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.486 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 48.2 m95 -115.64 149.55 38.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.916 -177.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -142.67 165.23 27.97 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.482 ' HE1' HG21 ' A' ' 22' ' ' ILE . 97.0 m-85 -79.36 147.37 32.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.91 0.386 . . . . 0.0 109.986 176.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.433 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -73.08 162.7 29.14 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.569 -178.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.12 -139.83 7.32 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.482 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.94 173.8 38.98 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.178 -1.011 . . . . 0.0 113.361 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.413 ' HB3' ' HZ3' ' A' ' 43' ' ' LYS . 3.7 ttpm? -81.14 149.54 29.09 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.383 -0.408 . . . . 0.0 110.001 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.9 t -100.41 119.93 49.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.565 -177.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -73.8 145.63 84.43 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.09 0.03 3.63 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.793 2.329 . . . . 0.0 113.483 -175.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -111.55 -1.07 15.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.259 0.552 . . . . 0.0 111.271 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -119.33 162.17 19.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.631 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 t -93.97 165.62 12.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.348 -178.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -61.52 -53.5 55.59 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.483 0.182 . . . . 0.0 111.036 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.419 ' O ' HG23 ' A' ' 55' ' ' VAL . 92.4 mtt180 -58.89 -38.69 79.42 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.391 0.615 . . . . 0.0 109.99 177.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -68.31 -42.76 78.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.463 -175.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.89 97.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.337 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.73 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 26.1 mt -60.37 -49.11 78.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 0.0 110.613 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 51' ' ' ARG . 61.0 t -60.54 -44.68 97.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.429 -176.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.602 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 7.7 ppt_? -75.14 -41.84 57.48 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.963 -177.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.69 -40.97 96.88 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 111.469 0.174 . . . . 0.0 111.469 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.73 ' HG ' ' O ' ' A' ' 54' ' ' LEU . 52.9 mt -69.46 -31.08 69.16 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.525 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 59' ' ' ARG . 19.8 ttt85 -64.16 -35.23 80.09 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.7 174.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' A' ' 56' ' ' ARG . 35.8 mt-10 -81.23 -41.19 22.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -177.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.561 ' OE1' ' HB2' ' A' ' 102' ' ' GLU . 71.9 mm-40 -90.45 -46.73 8.16 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -177.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.651 ' HA ' ' O ' ' A' ' 99' ' ' GLN . 58.9 mt -103.32 1.17 32.43 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -173.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 47.65 33.73 9.38 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 115.045 0.778 . . . . 0.0 115.045 -173.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.442 HG12 ' HB2' ' A' ' 62' ' ' LEU . 31.4 pt -123.72 146.37 29.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 118.304 1.052 . . . . 0.0 111.88 178.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.593 ' HB2' ' HB2' ' A' ' 95' ' ' HIS . 44.1 mt-10 -93.71 98.63 11.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.112 176.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.72 150.21 24.33 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.135 0.493 . . . . 0.0 111.936 -173.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.3 m -113.02 106.86 15.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.327 174.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.821 ' HA ' ' CZ3' ' A' ' 89' ' ' TRP . 23.2 t -86.86 130.85 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.048 -174.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.427 ' O ' ' HB3' ' A' ' 70' ' ' GLU . . . -177.48 62.65 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.021 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 70' ' ' GLU . 9.8 pt-20 151.24 111.24 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.808 1.243 . . . . 0.0 109.65 -175.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.769 ' HB3' ' HE1' ' A' ' 87' ' ' HIS . 52.7 m-85 -99.4 149.17 23.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.752 -0.593 . . . . 0.0 110.964 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.9 t -96.09 -70.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.791 0.329 . . . . 0.0 111.443 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.47 178.09 10.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.027 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.0 m -135.61 149.99 49.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.872 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -145.26 146.9 31.87 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 177.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -117.91 143.6 46.19 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.444 0.64 . . . . 0.0 111.604 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.613 ' HD3' ' HB2' ' A' ' 122' ' ' ALA . 18.3 ptt180 -146.11 159.99 42.53 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 176.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -107.26 147.64 29.96 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 119.044 -1.063 . . . . 0.0 111.505 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.621 ' HB ' HD11 ' A' ' 84' ' ' ILE . 2.7 p -120.34 93.87 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 115.166 -0.924 . . . . 0.0 108.568 171.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.2 t 47.6 74.31 0.17 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.567 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.03 -8.68 29.34 Favored Glycine 0 CA--C 1.523 0.574 0 C-N-CA 120.984 -0.627 . . . . 0.0 114.657 175.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -110.51 140.27 44.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 117.564 0.682 . . . . 0.0 109.804 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' A' ' 6' ' ' MET . 1.8 mp -99.11 116.39 42.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 120.912 0.387 . . . . 0.0 110.229 -175.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.757 HG23 ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -87.12 129.56 38.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.157 0.503 . . . . 0.0 109.903 175.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -108.62 101.86 10.97 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.242 -175.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.63 ' HA ' ' O ' ' A' ' 11' ' ' VAL . 8.3 mp -94.78 123.71 38.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.699 0.285 . . . . 0.0 110.691 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.769 ' HE1' ' HB3' ' A' ' 71' ' ' TYR . 10.0 t-80 -115.24 113.18 23.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.091 178.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 13' ' ' ALA . . . -89.92 144.71 25.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.931 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.821 ' CZ3' ' HA ' ' A' ' 68' ' ' VAL . 9.7 p-90 -139.31 150.8 45.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.716 176.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.515 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 44.1 t-80 -90.07 133.25 34.96 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 176.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.779 HG21 HD13 ' A' ' 16' ' ' ILE . 31.5 t -89.38 107.31 17.51 Favored Pre-proline 0 C--N 1.32 -0.711 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -177.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.515 ' HD3' ' O ' ' A' ' 90' ' ' HIS . 73.9 Cg_endo -78.73 -28.65 4.03 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.512 2.141 . . . . 0.0 111.811 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -153.18 138.55 17.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.771 -177.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -148.7 136.43 20.62 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.776 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.593 ' HB2' ' HB2' ' A' ' 65' ' ' GLU . 23.9 m170 -106.93 140.32 39.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.52 -178.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.56 -160.53 14.4 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.135 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 56.1 m -125.73 134.04 51.9 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.557 HD13 ' H ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -73.93 123.54 24.46 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.472 0.653 . . . . 0.0 111.189 -175.328 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.651 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 26.2 pt20 -127.4 168.36 14.96 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.563 178.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.633 ' HB2' HD13 ' A' ' 106' ' ' LEU . . . -111.15 122.37 47.7 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.802 0.334 . . . . 0.0 111.523 178.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.475 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 21.8 t-80 -94.47 -74.41 0.54 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.353 0.597 . . . . 0.0 110.175 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.561 ' HB2' ' OE1' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -76.49 -46.5 26.42 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.642 178.233 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.544 ' O ' ' HB1' ' A' ' 100' ' ' ALA . 66.0 m80 -71.68 151.42 43.66 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.444 -1.253 . . . . 0.0 109.256 -177.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -91.86 -66.74 0.9 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.906 0.384 . . . . 0.0 111.197 -174.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.406 ' H ' ' HB3' ' A' ' 26' ' ' GLN . . . -98.71 153.4 18.75 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.068 -176.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.655 ' HG ' HD11 ' A' ' 23' ' ' LEU . 1.1 mp -130.82 123.59 29.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.7 p -129.69 144.71 37.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.681 0.277 . . . . 0.0 110.883 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 16.9 m-90 -106.78 116.99 32.88 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 173.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.411 ' SG ' HD13 ' A' ' 24' ' ' LEU . 25.5 p -139.32 155.37 47.75 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.295 177.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.3 m -66.89 158.22 81.3 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.231 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.537 ' O ' HD11 ' A' ' 127' ' ' LEU . 50.5 Cg_exo -46.24 -54.19 5.0 Favored 'Trans proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.177 2.584 . . . . 0.0 113.318 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.543 ' CD ' ' H ' ' A' ' 112' ' ' GLU . 1.5 pm0 -70.44 -28.49 65.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.724 0.297 . . . . 0.0 110.83 -177.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -66.8 -42.11 86.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.37 175.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 117' ' ' TYR . . . -60.03 -35.43 75.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.026 -177.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.688 HD11 HG23 ' A' ' 124' ' ' ILE . 0.2 OUTLIER -76.58 -9.22 58.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.895 0.379 . . . . 0.0 110.897 -178.15 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -88.36 -5.22 58.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.01 0.434 . . . . 0.0 110.292 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.408 ' HB2' ' O ' ' A' ' 114' ' ' ALA . 30.4 m-85 -89.83 159.49 43.08 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.66 176.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.488 ' HG2' ' HA ' ' A' ' 36' ' ' LEU . 55.6 Cg_endo -73.77 79.09 2.33 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 121.945 1.763 . . . . 0.0 111.658 175.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.486 ' HA ' ' O ' ' A' ' 37' ' ' TRP . 75.7 mt -85.28 153.36 22.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.225 178.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.526 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . . . -61.95 155.0 65.62 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.757 177.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.438 ' HD2' ' HB1' ' A' ' 120' ' ' ALA . 11.6 Cg_endo -55.96 -22.68 39.56 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.373 2.715 . . . . 0.0 114.386 -174.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.613 ' HB2' ' HD3' ' A' ' 77' ' ' ARG . . . -98.09 -17.57 19.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.829 0.347 . . . . 0.0 110.671 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.526 ' OD1' ' HB3' ' A' ' 120' ' ' ALA . 1.1 m-20 -81.01 -26.48 36.41 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.386 -176.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.688 HG23 HD11 ' A' ' 115' ' ' LEU . 81.1 mt -63.0 -59.72 11.7 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.461 178.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.522 ' CD ' ' HB ' ' A' ' 124' ' ' ILE . 10.1 Cg_endo -53.67 -32.25 64.13 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 123.033 2.489 . . . . 0.0 113.042 177.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.402 HD13 ' HB2' ' A' ' 88' ' ' ALA . 84.0 mt -68.6 -41.95 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.028 0.442 . . . . 0.0 110.228 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.549 ' HB3' HD23 ' A' ' 115' ' ' LEU . 3.2 tm? -73.49 -36.23 65.75 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.734 -179.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 124' ' ' ILE . 33.5 mt-10 -54.2 -42.24 69.53 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.741 0.305 . . . . 0.0 110.621 177.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 132' ' ' ALA . . . -81.69 -21.0 38.32 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.779 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -71.59 -45.52 61.93 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -69.34 -31.66 70.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.726 175.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -63.35 -42.24 98.89 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-O 120.931 0.396 . . . . 0.0 111.15 172.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.49 -34.26 75.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 -176.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -81.48 -16.82 50.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.101 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -88.1 -35.21 17.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.01 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.456 ' O ' ' HG2' ' A' ' 137' ' ' ARG . . . -91.99 -33.35 14.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.427 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 136' ' ' ALA . 1.4 ptp180 66.74 134.05 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.441 0 C-N-CA 124.806 1.242 . . . . 0.0 112.21 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.55 130.62 24.03 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.02 1.813 . . . . 0.0 110.344 169.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -85.33 16.33 3.76 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.925 0.393 . . . . 0.0 111.169 -174.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.454 -0.784 . . . . 0.0 109.953 -178.657 . . . . . . . . 0 0 . 1 stop_ save_