data_2miq_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 2miq _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 ' 38' ' ' LYS . . . . . . . . . . . . . 54.4 tptt . . . . . 0 N--CA 1.466 0.341 0 N-CA-C 107.463 -1.31 . . . . 65.430000000000007 107.463 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -69.74 95.4 0.88 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.511 0.724 . . . . 74.109999999999999 110.002 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.4 mt -107.85 139.43 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.704 0.802 . . . . 70.430000000000007 109.637 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.674 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 14.5 t -77.08 97.83 4.83 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 108.155 -1.054 . . . . 63.5 108.155 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -65.17 -24.68 67.45 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 114.631 -1.168 . . . . 75.540000000000006 112.876 -169.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.8 mt -59.72 -43.16 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 122.986 0.514 . . . . 72.329999999999998 111.243 169.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.577 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 25.4 p -106.58 3.99 27.57 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 122.302 -0.248 . . . . 74.409999999999997 111.416 -176.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.3 p30 55.49 9.51 0.39 Allowed 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 126.166 1.787 . . . . 74.239999999999995 113.873 -178.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -135.72 146.19 47.45 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.158 0.983 . . . . 74.310000000000002 108.964 -172.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.53 50.93 1.24 Allowed Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.678 -0.569 . . . . 70.310000000000002 111.678 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -42.83 -76.28 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 125.516 1.526 . . . . 61.509999999999998 112.928 -175.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.4 t -113.18 103.77 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 109.568 -0.53 . . . . 74.200000000000003 109.568 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.39 -24.89 64.83 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.75 0.82 . . . . 72.109999999999999 111.593 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -72.76 -20.77 61.12 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.973 0.909 . . . . 64.340000000000003 111.125 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.1 m -110.1 9.08 24.12 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.938 0.895 . . . . 71.340000000000003 111.037 177.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 48.9 ttm -91.91 115.72 28.3 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 123.113 0.565 . . . . 75.239999999999995 109.637 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 59.1 mt -102.71 153.01 20.55 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 124.453 1.101 . . . . 72.010000000000005 110.213 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.27 116.26 22.36 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 105.99 -1.855 . . . . 74.340000000000003 105.99 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.702 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 44.4 t -58.0 113.64 1.98 Allowed 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.634 0.584 . . . . 72.140000000000001 111.575 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.661 ' HB2' ' HB3' ' A' ' 79' ' ' GLU . 29.5 t70 -51.35 -48.79 62.34 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.84 1.256 . . . . 72.310000000000002 110.962 173.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.456 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -96.95 55.06 1.34 Allowed Glycine 0 C--N 1.347 1.142 0 O-C-N 123.948 0.78 . . . . 71.120000000000005 112.016 175.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.562 ' HB2' ' SG ' ' A' ' 56' ' ' CYS . 33.3 m 177.09 -155.88 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 127.708 2.403 . . . . 65.150000000000006 105.952 170.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -161.28 104.96 1.29 Allowed 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.098 -1.075 . . . . 71.040000000000006 108.098 167.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.406 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 10.4 t70 -175.68 146.25 0.74 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.475 1.11 . . . . 74.329999999999998 108.542 177.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.7 m -92.88 123.91 36.48 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.967 0.507 . . . . 74.209999999999994 110.656 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' A' ' 61' ' ' ASP . 69.9 m-85 -122.88 147.97 45.97 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.461 1.105 . . . . 74.239999999999995 108.551 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.771 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 24.5 m80 -93.05 153.05 18.93 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 108.632 -0.877 . . . . 75.030000000000001 108.632 165.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.426 HG22 HD11 ' A' ' 72' ' ' LEU . 32.6 p -60.65 -39.64 89.06 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.626 1.203 . . . . 74.430000000000007 109.964 169.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -65.06 -38.03 89.5 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.834 1.254 . . . . 73.409999999999997 111.552 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.771 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 79.7 m -70.71 -18.99 62.8 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.658 0.783 . . . . 65.209999999999994 112.99 -174.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 85.3 mt -90.6 143.24 26.93 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.508 0.723 . . . . 75.129999999999995 109.565 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 mp -107.08 118.56 53.64 Favored Pre-proline 0 N--CA 1.49 1.561 0 C-N-CA 123.642 0.777 . . . . 73.409999999999997 109.741 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -80.24 160.41 85.71 Favored 'Cis proline' 0 C--N 1.385 2.467 0 CA-C-N 119.943 1.015 . . . . 74.109999999999999 111.221 -4.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' ' 65' ' ' THR . 76.0 Cg_exo -53.26 137.33 63.84 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 122.383 2.055 . . . . 64.510000000000005 112.055 174.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.426 HD11 HG22 ' A' ' 65' ' ' THR . 69.5 mt -68.82 101.3 1.31 Allowed 'General case' 0 CA--C 1.542 0.67 0 O-C-N 123.53 0.518 . . . . 72.319999999999993 110.11 -173.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.8 m -55.41 -35.73 65.69 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 125.082 1.353 . . . . 74.340000000000003 111.966 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.4 m -109.85 136.38 49.25 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 123.806 0.842 . . . . 71.129999999999995 108.798 173.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.6 mm -78.38 122.55 85.23 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 107.696 -1.224 . . . . 75.540000000000006 107.696 167.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -48.25 110.86 0.37 Allowed 'Trans proline' 0 C--N 1.377 2.033 0 C-N-CA 123.465 2.776 . . . . 74.230000000000004 113.453 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -61.29 -40.2 93.26 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.582 1.153 . . . . 75.420000000000002 110.849 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -96.59 175.99 32.04 Favored Glycine 0 C--N 1.341 0.84 0 N-CA-C 110.658 -0.977 . . . . 50.020000000000003 110.658 170.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.661 ' HB3' ' HB2' ' A' ' 57' ' ' ASP . 22.8 mm-40 -56.13 134.58 52.92 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.605 0.762 . . . . 75.239999999999995 110.868 177.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -89.51 135.7 33.45 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.714 0.806 . . . . 74.549999999999997 109.327 -172.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.0 mt -101.26 132.77 46.62 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 108.432 -0.951 . . . . 72.129999999999995 108.432 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.779 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 17.2 p -62.45 141.09 96.63 Favored Pre-proline 0 CA--C 1.553 1.069 0 CA-C-O 118.751 -0.642 . . . . 64.219999999999999 109.637 172.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.23 -27.87 31.86 Favored 'Trans proline' 0 C--N 1.39 2.711 0 C-N-CA 123.913 3.075 . . . . 70.340000000000003 113.772 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -57.53 -46.91 83.29 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.427 1.091 . . . . 74.310000000000002 110.331 174.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.779 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 63.2 m -81.82 -31.76 31.55 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.918 -1.037 . . . . 74.25 111.869 -176.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.6 t -53.2 -37.68 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 123.519 0.728 . . . . 74.319999999999993 111.518 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 CA--C 1.551 0.993 0 CA-C-O 121.94 0.876 . . . . 73.420000000000002 109.231 174.67 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.478 0 N-CA-C 107.926 -1.139 . . . . 74.099999999999994 107.926 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.547 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 31.5 m-85 -71.55 85.95 0.87 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.867 0.841 . . . . 71.010000000000005 110.274 -173.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.8 mt -111.68 122.79 66.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 C-N-CA 125.675 1.59 . . . . 73.299999999999997 108.592 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.526 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 52.9 t -65.55 110.91 2.89 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.463 -0.939 . . . . 72.140000000000001 108.463 174.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -65.27 -9.97 28.46 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.492 1.517 . . . . 73.209999999999994 112.75 -170.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.4 mt -102.36 -27.88 3.22 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 124.044 0.938 . . . . 75.530000000000001 110.108 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.628 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 68.5 m -89.24 -20.33 24.28 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.266 0.626 . . . . 75.329999999999998 111.848 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.1 t30 74.55 -8.68 1.45 Allowed 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 125.397 1.479 . . . . 74.319999999999993 111.934 -174.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.18 159.13 42.82 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.002 0.921 . . . . 74.519999999999996 110.201 172.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.78 50.45 0.77 Allowed Glycine 0 C--N 1.338 0.694 0 CA-C-N 115.976 -0.556 . . . . 74.510000000000005 111.968 176.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -59.04 -34.97 72.53 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.388 1.075 . . . . 74.340000000000003 112.131 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.505 HG12 ' H ' ' A' ' 52' ' ' SER . 54.7 t -116.48 94.51 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.115 0.566 . . . . 74.340000000000003 109.748 172.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.08 -24.41 62.31 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.639 0.376 . . . . 75.019999999999996 110.867 173.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.74 -37.63 88.09 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.387 1.075 . . . . 74.040000000000006 113.024 -174.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.505 ' H ' HG12 ' A' ' 49' ' ' VAL . 17.7 m -100.58 14.79 30.22 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.179 0.592 . . . . 74.310000000000002 110.76 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.571 ' SD ' ' HB3' ' A' ' 62' ' ' SER . 44.8 ttm -95.71 122.25 38.28 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 123.295 0.638 . . . . 73.120000000000005 110.777 -175.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.8 mt -89.61 148.22 23.47 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 125.282 1.433 . . . . 74.430000000000007 109.273 174.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -115.86 129.41 56.41 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.202 0.601 . . . . 73.230000000000004 109.526 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.827 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 42.3 t -72.38 86.84 1.14 Allowed 'General case' 0 C--N 1.351 0.659 0 N-CA-C 108.903 -0.777 . . . . 75.519999999999996 108.903 173.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.9 85.17 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 125.3 1.44 . . . . 70.400000000000006 111.52 -175.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 153.75 -29.25 0.75 Allowed Glycine 0 C--N 1.346 1.116 0 CA-C-N 115.867 -0.606 . . . . 72.530000000000001 112.89 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.827 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 4.2 p -128.24 -8.47 5.31 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.679 0.792 . . . . 74.329999999999998 111.454 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 61.15 76.4 0.37 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.437 1.495 . . . . 72.239999999999995 112.003 175.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -121.54 119.99 33.55 Favored 'General case' 0 C--O 1.245 0.851 0 N-CA-C 108.102 -1.073 . . . . 73.099999999999994 108.102 174.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.571 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 30.5 m -93.91 123.49 37.3 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.188 0.595 . . . . 74.530000000000001 110.058 -177.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -140.01 161.68 37.03 Favored 'General case' 0 C--O 1.208 -1.088 0 C-N-CA 124.689 1.196 . . . . 72.150000000000006 109.795 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.656 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 38.0 m80 -97.55 156.05 16.68 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 109.315 -0.624 . . . . 74.340000000000003 109.315 169.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.6 p -54.18 -48.27 71.12 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.946 0.898 . . . . 74.209999999999994 111.153 173.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -78.22 -17.91 56.11 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 115.174 -0.921 . . . . 74.310000000000002 112.682 -176.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.656 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 88.0 m -75.91 -32.6 59.7 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.045 0.538 . . . . 74.319999999999993 111.908 178.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.1 mt -71.26 150.98 44.7 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.937 0.895 . . . . 74.349999999999994 112.661 -174.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.7 mp -118.0 112.65 38.09 Favored Pre-proline 0 CA--C 1.555 1.16 0 N-CA-C 107.768 -1.197 . . . . 75.140000000000001 107.768 167.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -75.98 144.28 79.28 Favored 'Cis proline' 0 C--N 1.383 2.392 0 CA-C-N 120.395 1.177 . . . . 64.140000000000001 112.773 -0.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.54 138.81 51.3 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.374 2.05 . . . . 73.230000000000004 111.462 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.0 mt -91.5 131.1 37.17 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.974 -0.557 . . . . 74.400000000000006 109.613 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.9 t -74.97 -14.75 60.66 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.51 0.724 . . . . 73.430000000000007 111.223 -177.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.7 p -150.78 160.67 43.71 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.332 1.053 . . . . 74.019999999999996 110.381 -174.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 76.0 mt -81.75 117.28 67.67 Favored Pre-proline 0 CA--C 1.552 1.053 0 C-N-CA 123.979 0.912 . . . . 73.230000000000004 109.077 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -81.04 58.86 7.21 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 123.065 2.51 . . . . 52.140000000000001 111.814 177.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.4 tttp 73.03 -28.77 0.19 Allowed 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 125.89 1.676 . . . . 74.25 113.793 178.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.51 -30.42 9.54 Favored Glycine 0 C--N 1.343 0.936 0 N-CA-C 111.301 -0.719 . . . . 73.239999999999995 111.301 -169.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -74.83 89.05 2.31 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 107.532 -1.284 . . . . 61.009999999999998 107.532 170.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -145.85 154.96 42.56 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 114.832 -1.076 . . . . 73.329999999999998 109.755 -168.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 98.3 mt -119.96 130.16 54.65 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.532 0.733 . . . . 74.030000000000001 109.414 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.764 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 14.4 p -67.47 143.1 96.89 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 123.804 0.842 . . . . 43.520000000000003 111.018 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.52 -30.33 53.79 Favored 'Trans proline' 0 C--N 1.385 2.486 0 C-N-CA 123.327 2.684 . . . . 64.129999999999995 113.151 -178.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -68.4 -34.08 75.39 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 115.841 -0.618 . . . . 74.530000000000001 111.436 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.784 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 71.3 m -85.76 -23.87 27.1 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 122.568 0.347 . . . . 73.120000000000005 111.846 177.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.0 t -69.55 -44.55 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 122.567 0.347 . . . . 74.019999999999996 110.234 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.3 t . . . . . 0 N--CA 1.481 1.099 0 CA-C-N 116.108 -0.496 . . . . 73.510000000000005 109.848 171.743 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp . . . . . 0 N--CA 1.469 0.488 0 N-CA-C 106.198 -1.778 . . . . 72.420000000000002 106.198 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -59.55 99.53 0.06 Allowed 'General case' 0 CA--C 1.547 0.839 0 O-C-N 123.688 0.618 . . . . 74.439999999999998 110.003 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.1 mt -72.42 116.94 15.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.687 0 C-N-CA 123.48 0.712 . . . . 75.540000000000006 110.579 -175.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.675 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 48.7 t -64.84 121.5 14.75 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 108.586 -0.894 . . . . 74.439999999999998 108.586 176.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -67.93 -4.07 11.84 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 112.612 0.597 . . . . 75.010000000000005 112.612 -174.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.6 mt -112.89 -49.37 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 123.698 0.799 . . . . 71.120000000000005 111.344 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 26.5 p -107.35 -3.95 19.11 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.869 -0.519 . . . . 74.209999999999994 112.313 -170.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 75.6 -56.5 0.6 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 126.243 1.817 . . . . 73.230000000000004 113.093 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.83 135.11 57.45 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.296 0.639 . . . . 75.530000000000001 112.003 -175.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.38 30.25 7.41 Favored Glycine 0 N--CA 1.475 1.276 0 N-CA-C 110.907 -0.877 . . . . 71.299999999999997 110.907 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -88.81 -25.37 22.25 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.177 0.991 . . . . 74.319999999999993 110.758 -173.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.2 t -84.36 63.39 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 N-CA-C 107.629 -1.248 . . . . 74.109999999999999 107.629 168.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.67 ' HA ' ' HB2' ' A' ' 53' ' ' MET . 11.5 pt-20 -73.41 -20.21 60.79 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.519 -1.219 . . . . 73.439999999999998 111.237 -175.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -57.87 -35.07 70.45 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 124.405 1.082 . . . . 73.25 111.151 170.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.8 t -106.02 8.66 32.47 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.799 0.839 . . . . 71.040000000000006 111.795 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.67 ' HB2' ' HA ' ' A' ' 50' ' ' GLU . 4.2 tpt -67.83 102.55 1.26 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.985 0.514 . . . . 65.420000000000002 110.324 -175.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.2 mt -92.26 122.39 34.69 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.332 1.053 . . . . 73.519999999999996 108.994 176.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -111.59 116.08 30.23 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 108.269 -1.011 . . . . 74.519999999999996 108.269 -177.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.767 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 49.9 t -72.53 83.46 1.11 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.537 -0.912 . . . . 65.430000000000007 108.537 174.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -63.02 99.52 0.17 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.503 -0.771 . . . . 74.109999999999999 110.659 -178.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.87 -31.54 0.99 Allowed Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.412 -1.075 . . . . 72.329999999999998 110.412 -174.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.767 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 2.2 p -147.04 10.64 1.02 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.899 0.88 . . . . 74.120000000000005 112.367 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 60.84 14.49 5.21 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 114.794 1.405 . . . . 64.409999999999997 114.794 171.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.421 ' HB3' ' HE2' ' A' ' 63' ' ' TYR . 51.6 m-20 -66.56 99.35 0.57 Allowed 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.179 0.445 . . . . 72.420000000000002 110.445 -176.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 m -83.54 126.99 33.37 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.566 -0.743 . . . . 74.450000000000003 109.497 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.421 ' HE2' ' HB3' ' A' ' 61' ' ' ASP . 89.6 m-85 -143.16 175.46 9.86 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.442 1.097 . . . . 73.099999999999994 108.717 177.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.67 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 45.3 m80 -113.22 166.02 11.85 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.104 -0.702 . . . . 74.349999999999994 109.104 165.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.492 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 50.3 p -57.4 -46.66 83.22 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 123.907 0.754 . . . . 72.150000000000006 111.027 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -81.42 -4.24 55.22 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.654 1.182 . . . . 75.219999999999999 113.194 -176.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.675 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 99.4 m -78.93 -50.52 11.04 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 118.423 0.556 . . . . 73.230000000000004 112.384 -175.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.1 mp -70.93 174.45 6.15 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 113.088 0.773 . . . . 75.25 113.088 -173.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.6 tp -127.92 112.08 20.32 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 124.635 1.174 . . . . 75.230000000000004 107.956 171.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -73.73 135.51 40.39 Favored 'Cis proline' 0 C--N 1.379 2.16 0 CA-C-N 120.581 1.243 . . . . 72.409999999999997 113.358 4.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.77 122.13 8.56 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 122.622 2.215 . . . . 73.200000000000003 111.185 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.492 ' O ' ' HB ' ' A' ' 65' ' ' THR . 62.8 mt -70.99 88.43 0.76 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.378 1.071 . . . . 74.409999999999997 111.075 -176.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.1 p -70.09 -37.5 75.44 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 109.12 -0.696 . . . . 73.239999999999995 109.12 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.8 p -83.8 127.71 34.01 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.383 -0.826 . . . . 75.409999999999997 109.09 168.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.1 mm -58.77 130.23 85.57 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 124.437 1.095 . . . . 75.409999999999997 111.471 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -66.08 -179.9 1.61 Allowed 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 122.732 2.288 . . . . 72.120000000000005 112.68 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -83.08 35.9 0.5 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.03 0.932 . . . . 75.310000000000002 112.961 -170.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.98 -77.16 0.83 Allowed Glycine 0 C--N 1.35 1.332 0 N-CA-C 111.467 -0.653 . . . . 72.230000000000004 111.467 -173.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -68.16 99.69 0.93 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.072 0.949 . . . . 75.140000000000001 108.767 173.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -120.56 137.66 54.28 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.057 1.343 . . . . 74.209999999999994 109.123 -175.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.0 mt -122.12 146.19 47.45 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.719 0.808 . . . . 63.130000000000003 108.914 168.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.755 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 10.5 p -63.08 140.87 97.71 Favored Pre-proline 0 CA--C 1.55 0.974 0 CA-C-O 118.517 -0.754 . . . . 72.25 109.736 173.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -43.88 -34.72 6.34 Favored 'Trans proline' 0 C--N 1.382 2.294 0 C-N-CA 124.286 3.324 . . . . 73.5 115.511 -173.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -70.04 -39.61 75.63 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.703 0.801 . . . . 74.230000000000004 110.714 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.762 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 58.8 m -83.06 -20.11 35.58 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.445 0.698 . . . . 75.040000000000006 112.17 -178.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.13 -44.56 95.41 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 N-CA-C 109.494 -0.558 . . . . 63.140000000000001 109.494 168.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 CA--C 1.546 0.823 0 CA-C-O 122.598 1.189 . . . . 64.120000000000005 108.125 170.624 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.5 mttp . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 107.76 -1.2 . . . . 75.420000000000002 107.76 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -71.89 127.24 31.95 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.422 0.629 . . . . 74.420000000000002 111.208 -174.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.7 mt -114.99 133.66 60.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 C-N-CA 125.015 1.326 . . . . 63.340000000000003 109.728 -172.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 62' ' ' SER . 53.1 t -80.47 112.29 17.67 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 108.06 -1.089 . . . . 65.140000000000001 108.06 168.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -54.85 -42.32 71.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 124.19 0.931 . . . . 70.209999999999994 111.747 -174.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 58.3 mt -60.01 -45.85 94.91 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 C-N-CA 124.443 1.097 . . . . 75.040000000000006 111.278 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.504 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 29.3 m -80.88 -18.03 48.65 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.056 0.942 . . . . 75.049999999999997 111.574 -177.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 64.17 16.02 9.74 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.291 1.437 . . . . 73.310000000000002 112.049 -175.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.428 ' HG3' ' HB2' ' A' ' 48' ' ' ASP . 20.0 ptt-85 -162.04 174.62 12.76 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.003 0.921 . . . . 72.420000000000002 110.764 -177.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.21 -42.83 82.48 Favored Glycine 0 C--N 1.348 1.198 0 O-C-N 123.708 0.63 . . . . 70.239999999999995 112.227 175.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.428 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 27.5 t70 62.61 -89.15 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 124.629 1.172 . . . . 74.319999999999993 112.322 172.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.4 t -123.45 92.22 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 107.614 -1.254 . . . . 71.129999999999995 107.614 178.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -61.73 -30.22 70.63 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.45 1.1 . . . . 71.540000000000006 112.032 -172.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -66.85 -37.33 84.25 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.486 0.714 . . . . 74.439999999999998 111.64 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.0 t -78.89 -20.33 49.71 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.047 0.539 . . . . 52.399999999999999 110.415 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.424 ' SD ' ' HB3' ' A' ' 62' ' ' SER . 48.6 ttm -72.97 117.61 14.91 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.005 0.922 . . . . 71.0 110.875 177.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.9 mp -91.16 151.42 20.97 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 107.916 -1.142 . . . . 75.239999999999995 107.916 169.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.6 123.04 44.26 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 107.509 -1.293 . . . . 75.230000000000004 107.509 -176.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.7 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 35.1 t -67.56 123.68 21.13 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.513 0.725 . . . . 73.510000000000005 111.534 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.76 -29.48 67.88 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.852 1.261 . . . . 75.230000000000004 111.846 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.19 0.62 66.52 Favored Glycine 0 C--N 1.345 1.043 0 CA-C-O 118.985 -0.897 . . . . 73.129999999999995 114.462 -174.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.79 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 25.8 p -171.4 -153.82 0.09 Allowed 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 117.627 0.713 . . . . 63.420000000000002 110.658 -175.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -118.19 -6.25 10.87 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.593 0.757 . . . . 75.439999999999998 112.564 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.411 ' OD1' ' SG ' ' A' ' 59' ' ' CYS . 7.9 p30 -63.5 139.42 58.77 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 118.815 0.734 . . . . 63.329999999999998 110.314 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.542 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 50.0 m -123.4 138.83 54.51 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.707 0.803 . . . . 73.209999999999994 109.3 -174.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.422 ' HB2' ' CH2' ' A' ' 80' ' ' TRP . 57.6 m-85 -143.34 149.8 38.28 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.81 0.844 . . . . 74.209999999999994 109.357 -178.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.648 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 38.6 m80 -87.78 160.63 17.97 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.213 0.605 . . . . 74.340000000000003 110.559 176.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.507 HG23 ' HB2' ' A' ' 72' ' ' LEU . 42.7 p -58.15 -54.83 42.52 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 123.924 0.765 . . . . 74.329999999999998 111.089 175.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -77.26 -14.34 59.77 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.005 -0.998 . . . . 65.150000000000006 112.514 -174.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.648 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 90.9 m -74.28 -14.47 60.91 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 113.437 0.903 . . . . 73.340000000000003 113.437 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 63.3 mt -108.75 150.46 27.56 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.582 0.753 . . . . 74.510000000000005 110.756 -177.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.2 mt -128.86 117.24 19.34 Favored Pre-proline 0 N--CA 1.479 1.025 0 N-CA-C 107.895 -1.15 . . . . 75.349999999999994 107.895 169.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -70.68 142.3 71.6 Favored 'Cis proline' 0 C--N 1.385 2.472 0 CA-C-N 120.649 1.268 . . . . 72.299999999999997 112.301 -0.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.473 ' HG2' HG22 ' A' ' 73' ' ' THR . 59.7 Cg_endo -68.97 161.13 47.04 Favored 'Trans proline' 0 C--N 1.373 1.855 0 C-N-CA 122.449 2.099 . . . . 75.209999999999994 111.964 -177.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.507 ' HB2' HG23 ' A' ' 65' ' ' THR . 49.8 mt -82.19 71.96 9.25 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.856 -0.794 . . . . 73.040000000000006 108.856 176.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.473 HG22 ' HG2' ' A' ' 71' ' ' PRO . 40.9 p -69.92 -27.82 65.1 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 114.753 -1.112 . . . . 63.420000000000002 110.325 -179.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.2 m -118.07 129.74 55.73 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 108.454 -0.943 . . . . 55.109999999999999 108.454 171.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.4 mm -78.45 121.86 84.27 Favored Pre-proline 0 C--O 1.247 0.928 0 C-N-CA 123.517 0.727 . . . . 75.409999999999997 109.529 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -72.64 99.33 1.04 Allowed 'Trans proline' 0 C--N 1.376 1.983 0 C-N-CA 121.934 1.756 . . . . 71.120000000000005 110.493 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -58.93 105.67 0.34 Allowed 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 114.566 -1.197 . . . . 72.319999999999993 109.825 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.58 20.35 2.92 Favored Glycine 0 N--CA 1.47 0.938 0 N-CA-C 109.876 -1.29 . . . . 73.200000000000003 109.876 -171.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 67.59 176.57 0.25 Allowed 'General case' 0 C--N 1.359 0.997 0 C-N-CA 126.305 1.842 . . . . 62.5 112.846 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.422 ' CH2' ' HB2' ' A' ' 63' ' ' TYR . 55.8 t90 -123.0 144.75 49.05 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.337 0.655 . . . . 75.510000000000005 111.92 -164.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.5 mt -106.53 127.22 53.15 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 124.401 1.08 . . . . 73.439999999999998 109.411 171.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.709 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 32.0 p -67.23 158.34 82.04 Favored Pre-proline 0 N--CA 1.476 0.861 0 CA-C-O 117.939 -1.029 . . . . 63.409999999999997 110.583 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -46.81 -36.83 20.41 Favored 'Trans proline' 0 C--N 1.382 2.305 0 C-N-CA 122.917 2.411 . . . . 72.239999999999995 113.824 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.457 ' HB3' ' SG ' ' A' ' 82' ' ' CYS . 31.8 tpt180 -63.08 -47.13 84.21 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.121 1.368 . . . . 74.120000000000005 111.205 176.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.79 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 79.9 m -79.56 -28.04 41.2 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.417 0.687 . . . . 73.319999999999993 112.425 -176.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.405 HG21 ' O ' ' A' ' 82' ' ' CYS . 70.4 t -58.24 -55.85 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.037 0.935 . . . . 74.140000000000001 110.736 173.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.9 t . . . . . 0 N--CA 1.486 1.369 0 C-N-CA 125.427 1.491 . . . . 73.439999999999998 111.415 -178.335 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 121.67 0.748 . . . . 75.409999999999997 111.443 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -89.68 68.21 7.55 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.669 0.747 . . . . 75.120000000000005 110.04 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.5 pp -75.36 163.76 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 114.808 -1.087 . . . . 74.319999999999993 111.034 174.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.584 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 48.6 t -69.9 106.13 3.06 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 107.102 -1.444 . . . . 75.299999999999997 107.102 168.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -65.76 -13.64 59.79 Favored 'General case' 0 CA--C 1.564 1.501 0 O-C-N 124.176 0.922 . . . . 74.439999999999998 112.4 -167.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.6 mt -94.56 -25.94 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 C-N-CA 123.407 0.683 . . . . 75.439999999999998 109.908 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 73.7 m -87.66 -57.27 3.01 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.397 0.679 . . . . 73.239999999999995 111.633 -175.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 80.23 -38.39 0.16 Allowed 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 125.461 1.504 . . . . 75.349999999999994 111.781 -173.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -51.75 -59.56 4.16 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.23 1.012 . . . . 74.239999999999995 111.259 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.59 38.71 10.36 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-N 115.846 -0.615 . . . . 74.120000000000005 113.288 175.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -97.97 168.66 10.15 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.059 0.543 . . . . 72.129999999999995 109.73 169.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.6 t 56.69 61.88 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 124.561 1.144 . . . . 75.299999999999997 110.146 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -28.54 70.12 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 114.104 -1.407 . . . . 65.530000000000001 112.604 -178.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.14 -20.45 63.16 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.188 0.595 . . . . 54.229999999999997 112.168 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.2 m -102.19 13.04 35.75 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.982 0.513 . . . . 74.099999999999994 111.023 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 68.1 mtt -85.24 111.51 19.91 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.78 0.432 . . . . 73.420000000000002 110.312 177.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.5 mp -89.28 134.23 34.14 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 108.505 -0.924 . . . . 75.310000000000002 108.505 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.83 118.3 36.52 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 107.368 -1.345 . . . . 63.130000000000003 107.368 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.657 ' HB3' ' HB2' ' A' ' 59' ' ' CYS . 44.1 t -68.1 117.16 9.57 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 109.425 -0.583 . . . . 71.230000000000004 109.425 175.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -58.98 -24.45 62.72 Favored 'General case' 0 CA--C 1.56 1.363 0 O-C-N 124.671 1.232 . . . . 73.129999999999995 112.195 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.436 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -118.38 45.87 1.21 Allowed Glycine 0 C--N 1.35 1.321 0 CA-C-N 115.387 -0.824 . . . . 54.229999999999997 113.647 175.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.695 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 72.8 m -156.04 -176.02 5.74 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 124.384 1.073 . . . . 65.530000000000001 109.782 171.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -116.52 20.14 14.28 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.868 1.267 . . . . 72.450000000000003 108.359 175.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -121.54 149.43 43.12 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 114.943 -1.026 . . . . 70.409999999999997 110.842 -168.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.9 t -114.11 146.66 39.96 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 107.616 -1.253 . . . . 75.219999999999999 107.616 170.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -142.22 140.9 32.46 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 108.466 -0.939 . . . . 75.530000000000001 108.466 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.731 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 41.9 m80 -76.47 160.59 29.37 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.669 0.606 . . . . 73.0 109.932 174.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 26.1 p -51.93 -48.8 64.07 Favored 'General case' 0 CA--C 1.551 1.01 0 O-C-N 124.558 1.161 . . . . 61.229999999999997 111.552 173.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -81.07 -20.69 41.01 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.618 1.167 . . . . 71.439999999999998 112.993 -174.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 74.5 m -71.19 -14.97 62.44 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 112.561 0.578 . . . . 73.430000000000007 112.561 -178.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.3 mt -113.55 162.31 16.33 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.811 0.844 . . . . 75.340000000000003 110.933 -176.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 pp -121.53 132.69 24.17 Favored Pre-proline 0 CA--C 1.548 0.902 0 N-CA-C 108.847 -0.798 . . . . 72.530000000000001 108.847 173.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -73.29 134.41 35.11 Favored 'Cis proline' 0 C--N 1.376 1.993 0 C-N-CA 124.095 -1.21 . . . . 72.120000000000005 112.013 -3.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -60.78 134.71 55.4 Favored 'Trans proline' 0 C--N 1.384 2.4 0 C-N-CA 122.837 2.358 . . . . 74.230000000000004 111.735 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.472 ' O ' ' HB ' ' A' ' 65' ' ' THR . 64.9 mt -88.89 136.1 33.19 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.208 0.603 . . . . 73.420000000000002 110.188 -173.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.5 p -76.8 -15.86 59.62 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.55 0.74 . . . . 75.319999999999993 112.083 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 63.1 m -156.4 172.39 18.59 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.355 1.062 . . . . 74.310000000000002 109.227 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 79.1 mt -85.46 109.5 22.14 Favored Pre-proline 0 CA--C 1.545 0.766 0 N-CA-C 107.017 -1.475 . . . . 70.129999999999995 107.017 172.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -69.69 99.3 0.73 Allowed 'Trans proline' 0 C--N 1.369 1.622 0 C-N-CA 122.767 2.311 . . . . 64.019999999999996 111.373 -177.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt 73.54 -71.3 0.14 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.088 1.355 . . . . 75.420000000000002 111.651 175.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 154.97 -45.79 0.54 Allowed Glycine 0 C--N 1.343 0.968 0 N-CA-C 110.349 -1.1 . . . . 72.230000000000004 110.349 -175.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.28 79.69 2.38 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.596 0.758 . . . . 71.340000000000003 109.624 172.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -103.95 138.53 40.37 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 108.489 -0.93 . . . . 65.430000000000007 108.489 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.53 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 86.1 mt -112.7 144.53 42.06 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.052 0.941 . . . . 70.409999999999997 109.347 174.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.695 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 29.2 p -66.07 157.72 79.52 Favored Pre-proline 0 CA--C 1.55 0.957 0 C-N-CA 123.25 0.62 . . . . 61.219999999999999 110.308 175.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.431 ' O ' HG23 ' A' ' 87' ' ' VAL . 11.6 Cg_endo -53.72 -27.31 42.05 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.742 2.295 . . . . 73.200000000000003 112.744 176.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.6 mtt-85 -71.41 -40.19 70.63 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.036 0.935 . . . . 75.239999999999995 110.367 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 94.3 m -66.84 -30.49 70.69 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.099 0.56 . . . . 71.019999999999996 111.811 176.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.82 -38.35 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 C-N-CA 123.548 0.739 . . . . 74.310000000000002 110.543 175.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 83' ' ' PRO . 73.5 t . . . . . 0 N--CA 1.488 1.426 0 C-N-CA 123.043 0.537 . . . . 74.319999999999993 111.69 -178.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp . . . . . 0 C--O 1.237 0.395 0 N-CA-C 109.558 -0.534 . . . . 75.129999999999995 109.558 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.416 ' HB3' ' HG ' ' A' ' 62' ' ' SER . 33.7 m-85 -70.95 85.88 0.7 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.66 1.184 . . . . 73.540000000000006 108.437 173.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.8 mt -68.32 118.06 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 109.042 -0.725 . . . . 71.299999999999997 109.042 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.473 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 41.5 t -63.65 112.04 2.65 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 108.371 -0.974 . . . . 54.310000000000002 108.371 175.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -53.31 -26.37 18.44 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.114 1.366 . . . . 64.510000000000005 112.909 -169.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.466 ' HB ' ' HB3' ' A' ' 67' ' ' CYS . 55.2 mt -92.82 -38.2 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 C-N-CA 123.509 0.723 . . . . 71.310000000000002 111.769 -174.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.579 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 31.5 p -115.56 0.41 13.3 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 112.697 0.629 . . . . 75.319999999999993 112.697 -170.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 61.18 10.1 2.8 Favored 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 125.575 1.55 . . . . 73.310000000000002 114.048 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -91.69 121.83 33.7 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.92 0.488 . . . . 75.299999999999997 111.653 -177.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.22 10.39 75.04 Favored Glycine 0 N--CA 1.475 1.242 0 N-CA-C 111.546 -0.622 . . . . 63.240000000000002 111.546 171.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -110.28 171.59 7.37 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.761 1.624 . . . . 51.450000000000003 108.13 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.5 t 60.93 43.33 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 CA-C-O 122.941 1.353 . . . . 71.140000000000001 109.176 -172.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.64 -23.27 67.31 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 114.094 -1.412 . . . . 71.239999999999995 111.996 -176.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.1 -37.77 86.33 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.357 0.663 . . . . 71.129999999999995 111.049 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -93.88 4.22 54.25 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.876 0.471 . . . . 72.409999999999997 110.31 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 44.0 ttm -94.93 114.98 26.89 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 123.373 0.669 . . . . 74.230000000000004 109.919 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mp -93.58 136.55 33.74 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 124.729 1.212 . . . . 74.450000000000003 107.981 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -122.35 145.91 47.82 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 107.415 -1.328 . . . . 72.25 107.415 -177.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.713 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 1.6 t -82.04 138.97 34.74 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.099 0.56 . . . . 70.420000000000002 110.88 -174.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -73.04 -27.6 61.85 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 121.209 0.528 . . . . 74.140000000000001 110.233 169.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.552 ' O ' ' SG ' ' A' ' 56' ' ' CYS . . . -130.97 107.22 0.73 Allowed Glycine 0 C--N 1.347 1.169 0 CA-C-O 118.764 -1.02 . . . . 62.100000000000001 110.604 178.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.689 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 18.4 p 84.39 104.4 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 C-N-CA 127.682 2.393 . . . . 75.319999999999993 108.735 173.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -73.42 121.35 20.36 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.51 1.124 . . . . 75.340000000000003 111.4 -164.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -155.06 126.67 7.42 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 107.374 -1.343 . . . . 72.319999999999993 107.374 171.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.416 ' HG ' ' HB3' ' A' ' 39' ' ' TYR . 23.9 m -91.99 123.19 35.17 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.359 0.663 . . . . 65.219999999999999 110.052 -178.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -130.25 142.36 50.56 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.614 0.766 . . . . 64.230000000000004 109.187 176.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.702 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 35.1 m80 -88.45 158.24 18.42 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 109.164 -0.68 . . . . 75.439999999999998 109.164 165.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.487 HG21 HG12 ' A' ' 75' ' ' ILE . 26.4 p -55.37 -53.66 53.47 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 124.241 0.963 . . . . 64.349999999999994 110.559 172.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.631 ' HA ' ' HB3' ' A' ' 71' ' ' PRO . 50.4 p90 -73.53 -22.66 60.05 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 114.773 -1.103 . . . . 65.5 112.684 -176.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.702 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 95.0 m -73.27 -31.58 64.16 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.062 0.545 . . . . 75.319999999999993 111.623 177.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.64 149.62 47.9 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.69 0.396 . . . . 73.409999999999997 109.991 175.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.3 mt -125.63 117.0 24.68 Favored Pre-proline 0 N--CA 1.479 1.002 0 N-CA-C 108.7 -0.852 . . . . 74.319999999999993 108.7 175.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -70.19 141.09 65.6 Favored 'Cis proline' 0 C--N 1.382 2.306 0 CA-C-N 120.283 1.137 . . . . 75.030000000000001 113.106 -1.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.631 ' HB3' ' HA ' ' A' ' 66' ' ' PHE . 38.6 Cg_exo -59.7 137.48 77.32 Favored 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 123.45 2.767 . . . . 74.219999999999999 112.956 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.0 mt -81.6 88.26 6.22 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.335 0.654 . . . . 73.549999999999997 109.596 -177.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.3 p -65.08 -41.9 94.61 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 121.899 0.857 . . . . 74.010000000000005 109.035 172.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.5 m -89.09 115.47 26.65 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 114.029 -1.442 . . . . 71.140000000000001 108.261 167.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.487 HG12 HG21 ' A' ' 65' ' ' THR . 28.6 mt -84.46 124.84 73.07 Favored Pre-proline 0 CA--C 1.547 0.846 0 N-CA-C 108.717 -0.845 . . . . 73.329999999999998 108.717 178.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.71 81.15 0.46 Allowed 'Trans proline' 0 C--N 1.369 1.658 0 C-N-CA 122.551 2.167 . . . . 63.329999999999998 111.435 172.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.16 118.58 7.01 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 125.227 1.411 . . . . 75.299999999999997 109.168 177.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 123.68 -77.37 0.36 Allowed Glycine 0 C--O 1.241 0.584 0 O-C-N 123.633 0.583 . . . . 73.5 112.241 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -139.94 136.97 34.38 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.356 0.662 . . . . 73.200000000000003 109.94 -175.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -150.13 144.41 25.68 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 108.063 -1.088 . . . . 72.030000000000001 108.063 173.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.2 mt -119.58 138.1 53.43 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.559 0.744 . . . . 74.400000000000006 109.891 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.689 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 23.1 p -64.68 156.91 76.67 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 124.534 1.134 . . . . 63.32 111.861 178.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -46.85 -31.1 10.39 Favored 'Trans proline' 0 C--N 1.375 1.963 0 C-N-CA 123.752 2.968 . . . . 73.140000000000001 114.626 173.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.473 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 22.5 tpp180 -57.18 -43.46 82.67 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.133 0.973 . . . . 74.340000000000003 111.404 175.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.713 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 12.0 m -69.18 -36.35 77.24 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.154 0.581 . . . . 72.329999999999998 111.334 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 52.1 t -63.34 -28.03 44.24 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 115.195 -0.911 . . . . 70.239999999999995 110.595 -177.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.484 1.271 0 C-N-CA 123.503 0.721 . . . . 74.129999999999995 110.659 172.932 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' HG3' HG12 ' A' ' 40' ' ' ILE . 55.3 tptt . . . . . 0 C--O 1.239 0.528 0 N-CA-C 107.559 -1.275 . . . . 74.239999999999995 107.559 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -52.29 -72.06 0.06 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.503 1.121 . . . . 74.340000000000003 113.15 -174.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.432 HG12 ' HG3' ' A' ' 38' ' ' LYS . 24.3 mm 65.58 149.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 124.605 1.191 . . . . 63.509999999999998 111.885 -176.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.504 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 49.8 t -65.29 114.72 4.94 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 108.824 -0.806 . . . . 70.019999999999996 108.824 172.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.503 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 50.6 t-80 -70.13 -3.48 16.9 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.075 0.95 . . . . 71.319999999999993 112.857 -172.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.2 mt -107.97 -38.82 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 122.997 0.519 . . . . 74.140000000000001 110.429 174.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.622 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 84.2 m -82.92 -41.57 18.72 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.743 0.417 . . . . 73.340000000000003 111.703 -173.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 77.16 -36.58 0.25 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.703 1.601 . . . . 74.099999999999994 112.287 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -79.76 -45.25 19.2 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.237 0.615 . . . . 75.219999999999999 111.002 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.65 -73.44 0.48 Allowed Glycine 0 C--N 1.351 1.368 0 N-CA-C 111.583 -0.607 . . . . 74.030000000000001 111.583 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.6 t70 61.22 -82.62 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 124.457 1.103 . . . . 71.230000000000004 112.345 172.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.4 t -84.41 90.39 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 123.183 0.593 . . . . 74.540000000000006 109.561 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -71.01 -26.61 63.19 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.765 0.826 . . . . 71.25 111.234 175.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.29 -34.7 70.84 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.408 1.083 . . . . 74.430000000000007 112.747 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.5 m -102.91 14.32 32.23 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.568 0.347 . . . . 74.129999999999995 111.601 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 51.9 ttm -85.61 103.95 14.91 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.72 -0.845 . . . . 74.010000000000005 108.72 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.0 mt -83.96 150.58 25.56 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.588 1.155 . . . . 75.040000000000006 109.657 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -113.73 119.06 36.11 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 108.874 -0.788 . . . . 72.319999999999993 108.874 -175.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.851 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 17.4 t -78.95 91.05 4.78 Favored 'General case' 0 C--O 1.245 0.82 0 N-CA-C 108.808 -0.812 . . . . 72.519999999999996 108.808 176.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.98 96.09 3.11 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.561 0.745 . . . . 73.430000000000007 110.294 -176.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 156.81 -47.76 0.47 Allowed Glycine 0 CA--C 1.505 -0.546 0 N-CA-C 110.701 -0.959 . . . . 71.25 110.701 173.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 4.2 p -111.69 -6.07 14.39 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.303 0.641 . . . . 65.450000000000003 111.888 -173.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.8 t70 71.37 81.05 0.15 Allowed 'General case' 0 C--N 1.36 1.046 0 C-N-CA 123.981 0.913 . . . . 74.409999999999997 110.568 174.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -141.09 165.12 28.41 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 109.32 -0.622 . . . . 74.340000000000003 109.32 175.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 71.6 m -144.99 125.97 14.5 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.777 -0.647 . . . . 72.349999999999994 109.972 172.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.503 ' CE1' ' HB3' ' A' ' 42' ' ' HIS . 97.7 m-85 -141.89 146.43 35.75 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.88 0.872 . . . . 74.340000000000003 109.436 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.691 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 28.9 m80 -77.8 161.19 27.85 Favored 'General case' 0 C--O 1.248 1.003 0 N-CA-C 109.102 -0.703 . . . . 74.519999999999996 109.102 169.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.619 HG23 HG12 ' A' ' 75' ' ' ILE . 34.5 p -62.46 -42.93 99.82 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.392 -0.822 . . . . 71.540000000000006 110.119 171.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -90.32 50.81 1.9 Allowed 'General case' 0 CA--C 1.558 1.273 0 CA-C-N 115.058 -0.973 . . . . 74.140000000000001 110.836 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.691 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 83.3 m -134.68 -54.66 0.83 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.679 1.192 . . . . 74.120000000000005 108.561 175.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.8 mt -71.44 105.92 3.74 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 114.4 -1.273 . . . . 63.109999999999999 110.499 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.98 136.69 69.62 Favored Pre-proline 0 CA--C 1.552 1.037 0 C-N-CA 123.052 0.541 . . . . 73.310000000000002 110.834 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -69.48 132.2 21.18 Favored 'Cis proline' 0 C--N 1.383 2.376 0 CA-C-N 119.84 0.979 . . . . 74.549999999999997 111.685 -3.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -51.88 122.05 9.78 Favored 'Trans proline' 0 C--N 1.39 2.719 0 C-N-CA 123.423 2.748 . . . . 72.299999999999997 112.262 -171.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.3 mt -62.61 96.69 0.09 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.285 1.034 . . . . 73.430000000000007 109.814 -177.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.0 m -62.31 -33.38 74.57 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.858 0.863 . . . . 64.439999999999998 111.022 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.6 p -98.84 123.23 42.96 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 123.473 0.709 . . . . 64.230000000000004 109.443 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.619 HG12 HG23 ' A' ' 65' ' ' THR . 25.5 mt -91.61 113.21 57.93 Favored Pre-proline 0 N--CA 1.474 0.746 0 C-N-CA 124.55 1.14 . . . . 65.129999999999995 109.413 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.95 129.31 19.35 Favored 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 122.712 2.275 . . . . 74.140000000000001 112.896 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -78.62 -39.02 38.39 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 108.733 -0.84 . . . . 74.129999999999995 108.733 173.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.83 -178.79 34.78 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 114.874 -1.057 . . . . 53.350000000000001 112.781 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -65.18 142.05 58.46 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.439 0.695 . . . . 74.120000000000005 110.582 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -134.6 144.29 47.82 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.408 0.683 . . . . 62.039999999999999 110.572 -171.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.3 mt -127.13 143.59 51.23 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 124.565 1.146 . . . . 72.25 109.392 171.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.72 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 10.4 p -71.45 142.66 86.85 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 123.527 0.731 . . . . 72.109999999999999 110.861 178.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -47.65 -29.46 10.84 Favored 'Trans proline' 0 C--N 1.384 2.406 0 C-N-CA 123.71 2.94 . . . . 74.299999999999997 113.888 174.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -49.1 -60.39 2.83 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.549 1.14 . . . . 74.420000000000002 111.14 173.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 23.1 m -80.8 -24.17 38.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.205 -0.907 . . . . 73.150000000000006 111.654 -170.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.01 -30.82 48.4 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.079 0 CA-C-O 121.254 0.55 . . . . 73.239999999999995 109.908 172.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 67.0 t . . . . . 0 CA--C 1.551 1.009 0 C-N-CA 123.418 0.687 . . . . 75.140000000000001 110.967 174.449 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.1 tttm . . . . . 0 CA--C 1.544 0.743 0 N-CA-C 108.701 -0.852 . . . . 74.120000000000005 108.701 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 61.1 69.46 0.67 Allowed 'General case' 0 C--N 1.36 1.032 0 C-N-CA 124.255 1.022 . . . . 75.109999999999999 108.933 -169.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.3 mt -94.97 155.96 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 113.922 -1.49 . . . . 71.319999999999993 110.926 -171.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.741 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 46.1 t -65.76 107.76 1.89 Allowed 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 108.925 -0.768 . . . . 64.439999999999998 108.925 173.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -71.99 2.63 5.37 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 125.332 1.453 . . . . 74.219999999999999 111.907 -171.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.9 mt -116.15 -32.07 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 C-N-CA 123.504 0.722 . . . . 71.140000000000001 110.201 174.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 91.7 m -82.78 -20.02 36.62 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 118.82 -0.61 . . . . 72.400000000000006 111.508 -178.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 76.9 -40.34 0.36 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 125.074 1.35 . . . . 64.230000000000004 112.065 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -104.71 165.33 11.14 Favored 'General case' 0 C--O 1.246 0.88 0 C-N-CA 124.024 0.93 . . . . 71.299999999999997 110.51 173.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.62 -41.62 99.04 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 115.168 -0.924 . . . . 70.239999999999995 112.625 176.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.9 t70 62.02 -88.81 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.077 1.351 . . . . 75.319999999999993 111.367 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.8 t -115.22 99.86 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 123.478 0.711 . . . . 70.439999999999998 109.319 175.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -67.73 -25.38 65.62 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.257 0.623 . . . . 74.310000000000002 111.845 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -64.64 -29.5 70.51 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.331 1.052 . . . . 72.329999999999998 112.646 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.3 m -111.15 13.13 21.87 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.207 0.603 . . . . 71.510000000000005 111.256 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 48.2 ttm -81.32 106.98 13.72 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 123.161 0.584 . . . . 74.430000000000007 109.778 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 53.3 mt -85.25 141.21 30.27 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 125.013 1.325 . . . . 73.430000000000007 109.341 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -116.18 120.96 40.68 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.573 0.749 . . . . 75.120000000000005 109.439 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.712 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 41.8 t -72.99 114.83 11.58 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 108.643 -0.873 . . . . 71.319999999999993 108.643 176.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -53.32 -43.1 67.36 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 124.354 1.034 . . . . 73.430000000000007 110.832 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.488 ' O ' ' SG ' ' A' ' 59' ' ' CYS . . . -99.31 43.22 1.86 Allowed Glycine 0 C--N 1.344 1.0 0 CA-C-N 115.744 -0.662 . . . . 70.109999999999999 113.467 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.781 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 90.3 m -162.32 -176.42 5.08 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.461 0.705 . . . . 72.400000000000006 110.773 172.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -100.64 -22.39 14.95 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.249 1.42 . . . . 74.310000000000002 109.445 171.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.19 148.27 48.84 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 125.048 1.339 . . . . 74.150000000000006 111.756 -175.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.6 m -130.64 146.82 52.22 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 114.399 -1.273 . . . . 73.310000000000002 107.759 170.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.438 ' HD2' ' HH2' ' A' ' 80' ' ' TRP . 99.0 m-85 -139.45 158.65 43.77 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.021 0.928 . . . . 75.409999999999997 108.512 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.796 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 38.3 m80 -86.68 166.65 15.17 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 108.758 -0.83 . . . . 70.439999999999998 108.758 167.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.621 HG22 HD11 ' A' ' 75' ' ' ILE . 10.1 p -62.16 -43.39 98.94 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.477 -0.783 . . . . 70.409999999999997 109.936 169.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -91.48 40.59 1.04 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.163 0.985 . . . . 72.329999999999998 112.43 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.796 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 88.0 m -126.55 -50.75 1.5 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.36 0.664 . . . . 72.230000000000004 110.267 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.541 HD13 ' HZ2' ' A' ' 80' ' ' TRP . 97.0 mt -61.48 153.32 27.6 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.487 -0.779 . . . . 64.019999999999996 111.487 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mp -111.24 115.65 52.12 Favored Pre-proline 0 CA--C 1.548 0.878 0 N-CA-C 107.909 -1.145 . . . . 75.409999999999997 107.909 174.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -79.43 147.35 78.8 Favored 'Cis proline' 0 C--N 1.383 2.389 0 CA-C-N 120.114 1.076 . . . . 64.010000000000005 112.895 2.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.55 123.91 11.0 Favored 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 122.326 2.017 . . . . 73.209999999999994 111.684 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.452 ' O ' ' HB ' ' A' ' 65' ' ' THR . 45.0 mt -66.31 108.79 2.44 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.735 0.814 . . . . 65.129999999999995 109.051 178.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.4 p -85.0 6.65 24.29 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.99 0.916 . . . . 65.099999999999994 111.288 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.6 m -140.27 140.87 35.83 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 124.399 1.079 . . . . 63.299999999999997 109.133 172.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.621 HD11 HG22 ' A' ' 65' ' ' THR . 29.3 mm -74.3 118.71 71.92 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 123.715 0.806 . . . . 74.140000000000001 110.088 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.57 108.66 1.26 Allowed 'Trans proline' 0 C--N 1.378 2.13 0 C-N-CA 122.686 2.258 . . . . 71.319999999999993 110.951 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -93.15 107.99 19.68 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.303 -0.862 . . . . 70.329999999999998 110.25 -174.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 139.89 -137.78 8.69 Favored Glycine 0 C--N 1.34 0.766 0 N-CA-C 110.765 -0.934 . . . . 74.400000000000006 110.765 -172.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -101.86 125.65 48.58 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 108.629 -0.878 . . . . 72.239999999999995 108.629 173.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.541 ' HZ2' HD13 ' A' ' 68' ' ' LEU . 78.6 t90 -107.65 134.53 50.5 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 123.672 0.789 . . . . 74.439999999999998 108.961 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.454 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 95.8 mt -113.36 144.27 43.05 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.985 0.914 . . . . 74.129999999999995 109.644 174.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.781 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 27.9 p -65.41 154.47 87.7 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 123.412 0.685 . . . . 73.099999999999994 110.949 174.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -51.58 -25.81 20.72 Favored 'Trans proline' 0 C--N 1.373 1.861 0 C-N-CA 123.092 2.528 . . . . 75.540000000000006 113.844 172.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -68.86 -40.84 79.12 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.488 0.715 . . . . 75.340000000000003 110.508 176.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.715 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 80.7 m -68.89 -28.34 66.59 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 122.861 0.464 . . . . 74.5 111.635 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.32 -39.33 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 O-C-N 124.175 0.922 . . . . 73.239999999999995 110.322 174.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 N--CA 1.485 1.287 0 C-N-CA 123.501 0.721 . . . . 71.5 110.634 177.184 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 tptp . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.833 0.349 . . . . 73.319999999999993 110.872 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.615 ' HB3' ' HG2' ' A' ' 53' ' ' MET . 99.0 m-85 -75.77 93.19 3.1 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.498 0.719 . . . . 74.530000000000001 110.204 -173.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.3 mt -90.28 111.15 22.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 108.241 -1.022 . . . . 71.329999999999998 108.241 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.448 ' HB2' ' HE3' ' A' ' 53' ' ' MET . 47.4 t -58.05 124.29 18.81 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.393 0.677 . . . . 74.140000000000001 109.765 176.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -75.89 -8.19 56.32 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.658 0.783 . . . . 73.200000000000003 111.499 -174.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.6 mt -93.94 -40.35 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.059 0 C-N-CA 123.63 0.772 . . . . 73.349999999999994 109.07 175.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.743 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 56.5 m -84.06 -32.98 24.55 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.894 0.878 . . . . 72.129999999999995 112.533 -176.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 63.66 13.21 7.17 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 125.106 1.363 . . . . 72.219999999999999 111.385 -164.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -110.65 -72.74 0.71 Allowed 'General case' 0 C--N 1.354 0.786 0 C-N-CA 123.681 0.793 . . . . 74.040000000000006 109.295 -176.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.72 43.28 4.86 Favored Glycine 0 C--N 1.35 1.353 0 N-CA-C 110.588 -1.005 . . . . 64.519999999999996 110.588 -168.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -44.78 -72.33 0.06 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.665 1.586 . . . . 72.129999999999995 112.035 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.2 t -106.88 90.98 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 108.849 -0.796 . . . . 74.140000000000001 108.849 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.464 ' HA ' ' HB2' ' A' ' 53' ' ' MET . 54.8 mt-10 -73.09 -21.35 60.77 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.578 0.751 . . . . 74.150000000000006 110.623 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.11 -34.91 78.62 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.228 1.011 . . . . 72.340000000000003 110.927 173.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.0 m -103.94 20.05 18.88 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.792 0.837 . . . . 74.140000000000001 110.92 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.615 ' HG2' ' HB3' ' A' ' 39' ' ' TYR . 53.0 tpp -77.03 125.16 28.86 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 116.006 -0.543 . . . . 75.349999999999994 109.921 178.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.458 HD13 HG22 ' A' ' 65' ' ' THR . 85.4 mt -88.51 115.96 26.4 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.315 -0.994 . . . . 75.329999999999998 108.315 168.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -99.85 116.71 32.55 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.233 -1.766 . . . . 74.430000000000007 106.233 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 41.6 t -65.48 105.55 1.21 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.355 -0.609 . . . . 63.229999999999997 109.355 174.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.43 -33.31 74.56 Favored 'General case' 0 N--CA 1.483 1.209 0 O-C-N 123.741 0.651 . . . . 74.349999999999994 110.964 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.01 28.72 8.29 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 115.318 -0.855 . . . . 70.340000000000003 112.962 178.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 85.1 m -145.97 -78.48 0.18 Allowed 'General case' 0 C--N 1.353 0.722 0 C-N-CA 123.87 0.868 . . . . 61.409999999999997 108.989 172.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.4 t70 140.8 -24.95 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 126.997 2.119 . . . . 72.430000000000007 108.103 -162.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -74.89 134.09 41.69 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.712 0.634 . . . . 55.409999999999997 112.712 -162.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.539 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 66.0 m -89.07 136.13 33.18 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.864 0.865 . . . . 70.239999999999995 110.235 178.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -141.48 134.11 28.51 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.891 1.276 . . . . 73.329999999999998 108.415 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.681 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 29.0 m170 -78.21 147.86 34.26 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 118.777 0.717 . . . . 75.239999999999995 109.431 166.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.633 HG23 HG12 ' A' ' 75' ' ' ILE . 32.0 p -55.37 -48.59 74.06 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.07 0.948 . . . . 73.040000000000006 110.485 173.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -82.94 -3.33 56.95 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.919 1.287 . . . . 73.219999999999999 113.18 -173.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.743 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 74.5 m -98.99 -17.34 18.35 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 122.956 0.502 . . . . 63.43 111.527 176.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 42.0 mt -71.04 164.4 25.64 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.488 0.715 . . . . 74.519999999999996 111.496 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.7 mt -130.07 111.63 17.03 Favored Pre-proline 0 CA--C 1.553 1.066 0 N-CA-C 108.863 -0.792 . . . . 74.219999999999999 108.863 173.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.16 141.16 70.94 Favored 'Cis proline' 0 C--N 1.377 2.064 0 CA-C-N 120.01 1.039 . . . . 75.25 112.259 -0.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -60.78 127.22 21.85 Favored 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 122.706 2.27 . . . . 71.310000000000002 111.171 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.409 ' O ' ' HB ' ' A' ' 65' ' ' THR . 69.6 mt -81.84 100.08 9.39 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.31 0.644 . . . . 75.319999999999993 109.746 -177.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.3 m -64.06 -26.2 68.45 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.715 0.806 . . . . 73.439999999999998 110.858 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.5 m -110.66 132.83 53.86 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 124.215 1.006 . . . . 73.340000000000003 108.926 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.633 HG12 HG23 ' A' ' 65' ' ' THR . 50.6 mt -83.33 124.13 76.26 Favored Pre-proline 0 CA--C 1.548 0.886 0 N-CA-C 109.133 -0.691 . . . . 75.450000000000003 109.133 177.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -61.16 140.43 89.15 Favored 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 122.585 2.19 . . . . 73.349999999999994 110.74 168.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.468 ' O ' ' HD2' ' A' ' 77' ' ' LYS . 0.2 OUTLIER -61.87 97.43 0.08 Allowed 'General case' 0 CA--C 1.56 1.329 0 CA-C-O 121.931 0.872 . . . . 74.329999999999998 111.034 -176.891 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.03 -76.9 2.18 Favored Glycine 0 C--N 1.34 0.785 0 CA-C-N 115.26 -0.882 . . . . 71.530000000000001 113.765 164.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -106.85 120.16 41.27 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.902 0.881 . . . . 74.409999999999997 110.845 -173.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.425 ' CH2' ' HA ' ' A' ' 82' ' ' CYS . 74.4 t90 -121.99 155.42 35.6 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.326 1.451 . . . . 71.340000000000003 109.442 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 81.1 mt -115.22 136.48 53.06 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.827 0.851 . . . . 73.540000000000006 110.121 177.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.65 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 30.4 p -59.45 154.22 45.0 Favored Pre-proline 0 CA--C 1.553 1.086 0 C-N-CA 123.536 0.735 . . . . 73.25 111.324 177.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -49.89 -26.59 14.26 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 123.47 2.78 . . . . 75.25 113.631 172.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -75.68 -28.4 58.65 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.019 0.528 . . . . 74.299999999999997 111.593 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.65 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 86.3 m -79.46 -38.05 35.51 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 122.824 0.45 . . . . 74.340000000000003 110.266 174.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.7 t -70.1 -44.67 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 124.241 1.016 . . . . 71.329999999999998 111.29 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.5 t . . . . . 0 N--CA 1.484 1.253 0 C-N-CA 123.006 0.522 . . . . 72.530000000000001 110.373 175.085 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 1.8 mppt? . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 106.53 -1.656 . . . . 74.200000000000003 106.53 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -74.0 -47.69 35.44 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.657 -0.497 . . . . 75.239999999999995 109.657 171.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.1 mt 66.92 152.55 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.559 1.304 0 C-N-CA 125.131 1.372 . . . . 74.430000000000007 111.71 -176.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 41.0 t -77.51 110.6 12.42 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 108.906 -0.776 . . . . 53.240000000000002 108.906 174.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -58.76 -16.89 18.88 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 125.141 1.376 . . . . 74.439999999999998 113.519 -171.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.5 mt -101.02 -39.76 7.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 123.292 0.637 . . . . 73.25 111.121 -175.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 32.1 p -105.27 2.4 28.95 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.945 -0.472 . . . . 62.32 112.269 -171.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 75.85 -21.54 0.31 Allowed 'General case' 0 N--CA 1.499 1.98 0 C-N-CA 125.071 1.348 . . . . 72.340000000000003 113.76 170.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -114.54 148.33 38.12 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 121.612 -0.68 . . . . 74.439999999999998 110.753 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.96 47.3 1.39 Allowed Glycine 0 C--N 1.344 1.0 0 CA-C-N 115.285 -0.87 . . . . 61.140000000000001 111.142 173.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -94.94 160.18 14.7 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.37 1.068 . . . . 72.299999999999997 108.626 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.0 t 58.07 55.89 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 CA-C-O 122.548 1.166 . . . . 75.450000000000003 108.81 -174.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.533 ' HA ' ' HE2' ' A' ' 53' ' ' MET . 34.3 mt-10 -63.43 -23.6 67.47 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 114.034 -1.439 . . . . 72.340000000000003 112.916 -173.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -72.76 -21.3 61.03 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.255 0.622 . . . . 75.430000000000007 112.007 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.4 t -96.54 -5.41 39.4 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 122.757 0.423 . . . . 74.329999999999998 111.965 -177.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.554 ' HA ' ' HA ' ' A' ' 64' ' ' HIS . 22.3 ptp -88.8 128.33 35.64 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-O 121.412 0.625 . . . . 75.019999999999996 109.796 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.478 ' HB3' ' HB3' ' A' ' 80' ' ' TRP . 87.2 mt -97.59 132.11 43.55 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.631 -1.168 . . . . 75.040000000000006 108.177 175.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.8 131.55 46.64 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 107.672 -1.233 . . . . 74.430000000000007 107.672 -175.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 41.2 t -79.89 117.39 20.71 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 122.952 0.501 . . . . 74.540000000000006 109.996 176.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.36 -36.32 81.88 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.113 0.965 . . . . 72.530000000000001 111.164 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -93.51 25.01 23.02 Favored Glycine 0 C--N 1.354 1.543 0 CA-C-N 115.716 -0.674 . . . . 61.409999999999997 113.732 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.609 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 76.2 m -150.56 -169.37 3.37 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.83 1.252 . . . . 73.439999999999998 108.379 173.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -116.21 -4.35 11.92 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.708 0.803 . . . . 72.430000000000007 110.13 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -92.56 154.64 18.3 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.334 0.654 . . . . 74.25 111.56 -165.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.5 p -118.16 127.93 54.23 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.689 1.196 . . . . 73.310000000000002 109.957 175.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -126.18 125.2 42.07 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.925 0.89 . . . . 75.420000000000002 109.541 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.683 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 49.4 m80 -67.14 152.64 45.4 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.351 0.26 . . . . 74.319999999999993 110.64 174.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.9 p -59.49 -42.63 92.57 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 124.291 0.994 . . . . 63.350000000000001 110.735 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -79.93 -30.65 39.98 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.803 0.841 . . . . 64.129999999999995 112.678 -177.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.683 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 88.6 m -64.5 -27.79 69.21 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.072 0.549 . . . . 71.150000000000006 111.906 178.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.6 mt -76.93 137.5 39.13 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.247 0.619 . . . . 75.409999999999997 110.056 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.6 mp -121.25 118.18 30.17 Favored Pre-proline 0 CA--C 1.56 1.357 0 N-CA-C 108.388 -0.967 . . . . 72.200000000000003 108.388 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.03 146.84 85.91 Favored 'Cis proline' 0 C--N 1.385 2.48 0 CA-C-N 120.509 1.218 . . . . 73.109999999999999 111.697 -3.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.05 147.0 91.72 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.304 2.003 . . . . 64.409999999999997 112.294 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.416 HD13 HD11 ' A' ' 54' ' ' LEU . 72.8 mt -74.07 79.19 1.72 Allowed 'General case' 0 C--O 1.238 0.492 0 N-CA-C 108.88 -0.785 . . . . 74.439999999999998 108.88 174.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 59.9 p -69.58 -30.47 68.25 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 108.899 -0.778 . . . . 74.5 108.899 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.9 p -96.86 108.56 21.27 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.299 -0.864 . . . . 71.340000000000003 109.109 163.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 63.3 mt -83.92 126.47 70.33 Favored Pre-proline 0 CA--C 1.546 0.826 0 CA-C-N 114.685 -1.143 . . . . 74.010000000000005 108.315 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -78.85 71.43 6.97 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.692 2.261 . . . . 73.400000000000006 113.629 -169.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.473 ' HZ1' ' HB2' ' A' ' 77' ' ' LYS . 10.4 mtmp? 72.5 -36.58 0.36 Allowed 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 125.866 1.667 . . . . 75.450000000000003 114.05 175.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.54 -47.53 0.39 Allowed Glycine 0 C--N 1.34 0.803 0 N-CA-C 110.763 -0.935 . . . . 53.329999999999998 110.763 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.64 144.48 26.64 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.956 0.902 . . . . 73.25 110.152 178.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.478 ' HB3' ' HB3' ' A' ' 54' ' ' LEU . 60.4 t90 -141.59 143.13 33.54 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.577 0.751 . . . . 74.310000000000002 110.375 -172.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.2 mt -103.28 135.61 44.6 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.282 0.633 . . . . 75.239999999999995 109.429 171.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 29.7 p -65.98 148.48 98.32 Favored Pre-proline 0 CA--C 1.548 0.871 0 O-C-N 123.945 0.778 . . . . 75.420000000000002 110.777 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.446 ' O ' HG21 ' A' ' 87' ' ' VAL . 88.9 Cg_exo -47.26 -34.71 18.86 Favored 'Trans proline' 0 C--N 1.381 2.256 0 C-N-CA 123.623 2.882 . . . . 73.340000000000003 113.028 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -57.31 -48.48 78.84 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.867 1.267 . . . . 74.310000000000002 111.452 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 80.1 m -65.63 -35.88 82.08 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.481 0.712 . . . . 72.349999999999994 111.2 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.0 t -72.64 -25.36 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 CA-C-N 114.31 -1.314 . . . . 75.439999999999998 111.489 -178.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.446 HG21 ' O ' ' A' ' 83' ' ' PRO . 78.3 t . . . . . 0 N--CA 1.493 1.7 0 C-N-CA 123.347 0.659 . . . . 72.439999999999998 111.058 175.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt . . . . . 0 C--O 1.236 0.35 0 CA-C-O 120.727 0.298 . . . . 74.230000000000004 110.957 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.451 ' HE1' ' HG ' ' A' ' 55' ' ' LEU . 89.5 m-85 -79.17 79.56 5.58 Favored 'General case' 0 C--N 1.348 0.51 0 N-CA-C 108.544 -0.91 . . . . 75.409999999999997 108.544 170.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 83.5 mt -104.76 124.15 59.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 108.371 -0.974 . . . . 75.340000000000003 108.371 178.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.759 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 47.0 t -71.85 112.12 7.68 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 109.119 -0.697 . . . . 71.519999999999996 109.119 175.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -69.57 1.5 4.03 Favored 'General case' 0 CA--C 1.561 1.388 0 N-CA-C 113.45 0.908 . . . . 75.239999999999995 113.45 -173.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.416 HG13 ' HE1' ' A' ' 63' ' ' TYR . 75.3 mt -113.08 -29.55 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.926 0.89 . . . . 72.200000000000003 110.593 174.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.516 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 56.6 m -95.9 -23.98 16.63 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 112.171 0.434 . . . . 74.299999999999997 112.171 -175.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 t30 72.36 -50.76 0.7 Allowed 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 125.625 1.57 . . . . 73.310000000000002 111.201 -167.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -75.52 128.3 34.99 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 123.877 0.871 . . . . 64.549999999999997 111.321 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.21 40.81 2.45 Favored Glycine 0 C--N 1.349 1.272 0 N-CA-C 111.126 -0.789 . . . . 74.510000000000005 111.126 172.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -64.03 -53.05 56.09 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 125.475 1.51 . . . . 74.530000000000001 110.651 -174.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.9 t -92.1 73.54 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 CA-C-N 115.185 -0.916 . . . . 74.430000000000007 109.463 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -69.79 -31.94 70.14 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.896 0.479 . . . . 75.409999999999997 110.911 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -64.29 -35.11 79.78 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.667 0.787 . . . . 61.130000000000003 112.421 -177.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -101.27 20.22 16.22 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.118 0.485 . . . . 72.219999999999999 110.021 178.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.493 ' SD ' ' HB3' ' A' ' 62' ' ' SER . 45.0 ttm -105.18 138.08 41.94 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.936 0.894 . . . . 74.430000000000007 109.078 175.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.9 mt -106.91 157.07 18.05 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.143 0.977 . . . . 72.510000000000005 110.065 177.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.451 ' HG ' ' HE1' ' A' ' 39' ' ' TYR . 3.4 tm? -128.78 139.98 51.93 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 107.761 -1.199 . . . . 74.430000000000007 107.761 -175.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.537 ' SG ' ' HB3' ' A' ' 82' ' ' CYS . 74.3 m -82.48 125.64 31.33 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.518 0.727 . . . . 75.120000000000005 111.932 -176.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -68.91 -31.86 71.07 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.367 0.667 . . . . 72.340000000000003 111.121 171.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.31 -75.28 1.28 Allowed Glycine 0 C--N 1.35 1.316 0 CA-C-N 115.707 -0.679 . . . . 52.439999999999998 113.127 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.8 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 31.1 p -82.32 -178.84 7.2 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.795 0.838 . . . . 73.519999999999996 111.797 -177.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -114.65 102.78 10.35 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.073 0.949 . . . . 73.530000000000001 109.964 -178.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.426 ' OD2' ' SG ' ' A' ' 59' ' ' CYS . 1.5 p30 -177.5 161.34 1.72 Allowed 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 124.766 1.226 . . . . 73.519999999999996 109.429 177.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.493 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 28.5 m -129.07 143.04 50.73 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 124.015 0.926 . . . . 62.450000000000003 109.24 172.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.416 ' HE1' HG13 ' A' ' 43' ' ' ILE . 70.1 m-85 -146.13 139.27 25.84 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.592 0.757 . . . . 71.430000000000007 109.988 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.759 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 35.5 m80 -74.81 144.52 43.47 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 108.334 -0.988 . . . . 74.409999999999997 108.334 171.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.426 HG23 HG12 ' A' ' 75' ' ' ILE . 43.0 p -59.35 -46.75 87.78 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 124.161 0.913 . . . . 65.010000000000005 111.426 177.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -70.83 -24.3 62.51 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.121 -0.945 . . . . 75.519999999999996 112.998 -178.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.759 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 17.1 p -97.01 20.79 10.66 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.089 0.471 . . . . 71.310000000000002 111.535 -177.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.8 mt -108.84 159.53 16.71 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.116 0.966 . . . . 75.329999999999998 109.786 173.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.2 mt -127.37 114.35 21.36 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 123.382 0.673 . . . . 74.109999999999999 109.231 173.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -74.86 141.87 73.06 Favored 'Cis proline' 0 C--N 1.382 2.336 0 C-N-CA 124.448 -1.063 . . . . 74.319999999999993 112.424 -1.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.56 133.4 29.82 Favored 'Trans proline' 0 C--N 1.382 2.309 0 C-N-CA 122.53 2.154 . . . . 74.120000000000005 111.806 -177.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.9 mt -83.13 76.37 9.86 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.485 0.66 . . . . 74.310000000000002 109.46 -177.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.7 p -60.09 -35.06 74.36 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.922 -1.036 . . . . 74.209999999999994 110.385 175.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.4 m -89.0 104.41 16.95 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 107.834 -1.172 . . . . 71.519999999999996 107.834 165.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.426 HG12 HG23 ' A' ' 65' ' ' THR . 51.0 mt -90.12 124.01 64.39 Favored Pre-proline 0 N--CA 1.475 0.795 0 C-N-CA 124.466 1.107 . . . . 64.450000000000003 109.999 -175.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -91.01 96.17 0.23 Allowed 'Trans proline' 0 C--N 1.374 1.875 0 C-N-CA 122.744 2.296 . . . . 74.209999999999994 111.137 169.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -71.27 66.03 0.43 Allowed 'General case' 0 CA--C 1.565 1.522 0 CA-C-O 121.335 0.588 . . . . 74.430000000000007 111.956 176.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -158.65 -158.92 9.3 Favored Glycine 0 C--N 1.342 0.911 0 N-CA-C 110.797 -0.921 . . . . 65.310000000000002 110.797 165.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -61.01 104.1 0.33 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.438 0.695 . . . . 73.099999999999994 110.58 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.413 ' O ' ' HA ' ' A' ' 56' ' ' CYS . 65.3 t90 -106.58 155.56 19.5 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.229 1.012 . . . . 74.439999999999998 109.44 -179.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.1 mt -119.21 127.38 53.22 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.579 0.752 . . . . 73.200000000000003 109.471 177.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.8 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 16.4 p -83.65 167.51 27.93 Favored Pre-proline 0 N--CA 1.477 0.896 0 C-N-CA 123.026 0.53 . . . . 72.140000000000001 110.105 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -42.42 -40.12 6.99 Favored 'Trans proline' 0 C--N 1.378 2.098 0 C-N-CA 122.909 2.406 . . . . 75.439999999999998 113.638 168.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.663 HH11 ' HB2' ' A' ' 59' ' ' CYS . 60.5 ttt-85 -62.29 -42.63 99.52 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.255 0.622 . . . . 73.200000000000003 111.509 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.785 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 69.8 m -59.18 -45.08 91.98 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.173 0.511 . . . . 73.519999999999996 110.659 175.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 43.8 t -67.96 -33.07 59.1 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.161 0 CA-C-N 114.782 -1.099 . . . . 63.509999999999998 111.202 -177.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 52.9 t . . . . . 0 N--CA 1.482 1.139 0 C-N-CA 123.228 0.611 . . . . 70.049999999999997 111.437 178.013 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.8 pttt . . . . . 0 C--O 1.24 0.597 0 CA-C-O 121.164 0.507 . . . . 75.450000000000003 109.872 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -118.78 -60.44 1.76 Allowed 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.539 -0.911 . . . . 74.230000000000004 108.539 170.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.448 HG22 ' O ' ' A' ' 45' ' ' ASN . 28.3 mt 65.26 136.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 124.836 1.335 . . . . 71.420000000000002 110.476 -175.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.853 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 42.7 t -75.9 122.3 23.93 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 109.018 -0.734 . . . . 63.439999999999998 109.018 -179.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -58.9 -23.38 61.05 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.336 1.055 . . . . 73.219999999999999 112.068 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.541 HD12 ' HB3' ' A' ' 67' ' ' CYS . 3.3 mp -108.09 -51.18 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.383 0.673 . . . . 73.040000000000006 110.338 -171.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.709 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 26.2 p -118.63 23.24 11.6 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 111.987 0.366 . . . . 71.099999999999994 111.987 -166.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.448 ' O ' HG22 ' A' ' 40' ' ' ILE . 41.3 m-80 75.42 -65.73 0.32 Allowed 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 125.859 1.663 . . . . 72.329999999999998 112.971 167.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -59.83 124.52 20.43 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.892 0.877 . . . . 72.340000000000003 112.822 -165.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.634 ' HA2' ' HE1' ' A' ' 53' ' ' MET . . . -101.06 40.33 2.45 Favored Glycine 0 C--N 1.349 1.282 0 N-CA-C 109.033 -1.627 . . . . 71.219999999999999 109.033 170.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -97.15 -50.98 4.38 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 125.878 1.671 . . . . 65.420000000000002 109.093 -172.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.5 t -85.73 70.52 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 115.061 -0.972 . . . . 75.319999999999993 108.72 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -78.64 -20.77 49.55 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.418 -0.81 . . . . 75.420000000000002 111.069 -177.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.23 -34.62 78.51 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.27 0.628 . . . . 64.400000000000006 111.826 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.8 m -102.05 2.76 38.03 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.278 0.631 . . . . 74.510000000000005 110.39 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.634 ' HE1' ' HA2' ' A' ' 47' ' ' GLY . 51.5 ttm -86.57 113.31 22.37 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 123.017 0.527 . . . . 74.200000000000003 110.228 177.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 mp -87.19 127.8 35.15 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 107.977 -1.12 . . . . 63.5 107.977 175.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -99.75 125.62 45.68 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 106.695 -1.595 . . . . 73.310000000000002 106.695 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.899 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 19.8 t -82.34 119.05 23.65 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.013 0.525 . . . . 72.310000000000002 110.945 -173.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.58 -35.23 63.02 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.362 1.065 . . . . 74.409999999999997 111.401 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.02 7.64 59.31 Favored Glycine 0 C--N 1.348 1.213 0 N-CA-C 115.112 0.805 . . . . 71.329999999999998 115.112 -178.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 22.2 p -159.69 -158.11 0.63 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 108.412 -0.959 . . . . 73.109999999999999 108.412 177.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -101.1 -24.91 14.21 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.073 0.949 . . . . 74.409999999999997 109.85 177.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.55 158.17 15.68 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.053 0.941 . . . . 74.120000000000005 112.837 -165.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.1 t -141.74 123.11 14.87 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.006 0.922 . . . . 72.120000000000005 109.42 -175.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -122.72 166.13 15.42 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.044 1.338 . . . . 72.349999999999994 109.883 -176.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.721 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 32.5 m80 -99.17 178.24 4.98 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 108.987 -0.746 . . . . 70.129999999999995 108.987 164.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.5 p -60.14 -52.59 64.68 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 114.634 -1.166 . . . . 71.219999999999999 108.807 161.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -95.28 73.55 3.33 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.25 1.02 . . . . 74.219999999999999 109.737 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.853 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 55.5 m -148.88 -13.97 0.32 Allowed 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 115.022 -0.99 . . . . 75.099999999999994 111.909 175.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 mp -110.61 179.88 3.95 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.035 0.534 . . . . 72.239999999999995 110.376 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -132.78 113.32 13.88 Favored Pre-proline 0 CA--C 1.554 1.113 0 N-CA-C 108.494 -0.928 . . . . 73.219999999999999 108.494 173.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -78.24 142.71 70.59 Favored 'Cis proline' 0 C--N 1.375 1.923 0 C-N-CA 123.464 -1.473 . . . . 71.219999999999999 112.909 -2.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.99 127.22 23.49 Favored 'Trans proline' 0 C--N 1.383 2.363 0 C-N-CA 122.682 2.255 . . . . 74.439999999999998 111.748 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.82 111.07 2.29 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.626 0.77 . . . . 71.430000000000007 110.959 -174.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.2 t -74.5 -23.38 58.84 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.954 -0.566 . . . . 72.109999999999999 111.25 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.8 m -128.99 152.26 48.79 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.809 0.844 . . . . 74.120000000000005 110.557 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.2 mm -77.95 115.76 53.05 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 123.15 0.58 . . . . 72.140000000000001 109.452 172.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -80.16 86.92 1.58 Allowed 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.426 2.084 . . . . 72.25 110.838 175.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 91.1 mttt 73.49 -68.17 0.23 Allowed 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 126.06 1.744 . . . . 72.510000000000005 111.206 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 151.96 -45.62 0.61 Allowed Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 107.804 -2.118 . . . . 75.450000000000003 107.804 -174.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.45 80.8 1.92 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 121.88 0.848 . . . . 70.120000000000005 109.363 169.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 61.4 t90 -106.33 124.96 50.4 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 108.046 -1.094 . . . . 74.239999999999995 108.046 177.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.6 mt -94.38 122.17 36.67 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 108.835 -0.802 . . . . 75.219999999999999 108.835 176.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 27.4 p -66.51 158.95 76.54 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 123.232 0.613 . . . . 71.140000000000001 110.184 170.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.81 -18.57 49.7 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.328 2.019 . . . . 74.409999999999997 113.244 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.534 ' HB3' ' SG ' ' A' ' 82' ' ' CYS . 75.4 ttt180 -63.18 -36.16 82.7 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.569 0.748 . . . . 74.420000000000002 111.32 174.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.899 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 45.2 m -77.38 -37.41 52.14 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.452 0.701 . . . . 73.219999999999999 111.807 -176.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.6 t -83.64 -39.0 14.68 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 CA-C-N 115.322 -0.854 . . . . 62.509999999999998 110.43 -174.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.483 1.199 0 C-N-CA 123.163 0.585 . . . . 73.450000000000003 110.593 -177.886 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.481 ' HB3' HG13 ' A' ' 40' ' ' ILE . 36.0 tttt . . . . . 0 CA--C 1.557 1.225 0 N-CA-C 107.352 -1.351 . . . . 72.540000000000006 107.352 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 56.43 32.81 21.35 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 115.112 -0.949 . . . . 73.230000000000004 110.171 -164.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.481 HG13 ' HB3' ' A' ' 38' ' ' LYS . 59.9 mt -77.42 125.28 37.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 CA-C-N 114.714 -1.13 . . . . 73.510000000000005 109.954 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.543 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 52.3 t -54.84 116.24 2.62 Favored 'General case' 0 C--O 1.241 0.629 0 O-C-N 124.416 1.072 . . . . 61.149999999999999 110.045 176.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -65.77 -3.54 5.1 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 125.443 1.497 . . . . 74.120000000000005 112.58 -172.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.4 mt -113.29 -32.37 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.225 0 C-N-CA 124.114 0.966 . . . . 73.530000000000001 110.499 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.813 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 73.8 m -86.15 -23.47 26.55 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 112.925 0.713 . . . . 63.32 112.925 -173.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.5 t30 76.31 -24.24 0.22 Allowed 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 125.007 1.323 . . . . 72.450000000000003 112.761 -178.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -100.9 -44.78 5.65 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.568 0.747 . . . . 75.299999999999997 110.745 -174.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.505 ' HA2' ' H ' ' A' ' 41' ' ' CYS . . . 95.21 -86.07 0.98 Allowed Glycine 0 C--N 1.345 1.065 0 N-CA-C 110.552 -1.019 . . . . 51.329999999999998 110.552 -175.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.1 t70 57.54 -81.96 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 124.707 1.203 . . . . 71.409999999999997 113.891 169.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.1 t -57.74 94.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.212 0 C-N-CA 124.867 1.267 . . . . 73.099999999999994 110.385 -175.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -80.77 -33.05 35.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.263 1.025 . . . . 74.129999999999995 111.268 -171.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -72.99 -24.36 60.75 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.282 0.845 . . . . 74.349999999999994 113.282 -177.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.1 m -109.04 9.13 26.4 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 118.145 0.429 . . . . 72.209999999999994 110.179 175.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 53.6 ttm -78.08 102.05 7.28 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 123.502 0.721 . . . . 75.400000000000006 109.271 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.7 mt -85.16 137.75 32.82 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.154 0.982 . . . . 74.430000000000007 108.974 176.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -118.14 112.82 20.68 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 106.756 -1.572 . . . . 74.140000000000001 106.756 173.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.513 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 49.5 t -60.37 113.29 2.32 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 123.949 0.781 . . . . 71.319999999999993 109.959 174.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -80.82 -6.21 58.26 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 121.297 0.57 . . . . 75.129999999999995 110.595 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.463 ' O ' ' SG ' ' A' ' 59' ' ' CYS . . . -113.69 30.53 7.14 Favored Glycine 0 C--N 1.346 1.133 0 CA-C-N 115.652 -0.704 . . . . 74.319999999999993 113.815 175.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 85.1 m -165.98 -34.14 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.642 0.777 . . . . 75.439999999999998 110.565 176.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 63.09 70.68 0.54 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.823 1.249 . . . . 70.239999999999995 109.888 -167.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -144.99 139.98 27.86 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 107.547 -1.279 . . . . 74.140000000000001 107.547 172.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.8 p -104.74 124.97 50.33 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.86 0.864 . . . . 75.030000000000001 110.924 -173.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -129.25 -178.43 4.65 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.534 1.134 . . . . 73.310000000000002 109.189 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.689 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 34.5 m170 -115.66 161.28 18.9 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.61 -0.723 . . . . 70.400000000000006 109.842 165.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.617 HG23 HG12 ' A' ' 75' ' ' ILE . 19.4 p -63.26 -46.91 84.69 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.734 1.271 . . . . 71.209999999999994 110.859 172.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -79.29 -17.21 55.09 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.985 0.914 . . . . 74.120000000000005 112.99 -175.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.813 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 95.6 m -71.17 -38.47 72.16 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.955 0.502 . . . . 73.150000000000006 111.051 176.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.9 mt -72.18 146.2 47.54 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 124.077 0.86 . . . . 75.430000000000007 110.18 173.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 pp -128.03 129.11 23.72 Favored Pre-proline 0 N--CA 1.481 1.079 0 CA-C-O 119.412 -0.327 . . . . 72.540000000000006 110.573 175.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -70.73 137.29 45.3 Favored 'Cis proline' 0 C--N 1.382 2.317 0 CA-C-N 119.94 1.014 . . . . 64.230000000000004 112.141 -1.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.77 146.62 92.17 Favored 'Trans proline' 0 C--N 1.376 1.982 0 C-N-CA 123.184 2.589 . . . . 73.140000000000001 113.53 -169.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.1 mt -81.59 89.23 6.2 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.19 0.596 . . . . 75.219999999999999 109.522 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.0 p -65.88 -20.98 66.42 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.25 0.62 . . . . 74.450000000000003 111.588 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.2 m -95.67 112.85 24.48 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 107.728 -1.212 . . . . 71.340000000000003 107.728 165.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.617 HG12 HG23 ' A' ' 65' ' ' THR . 35.7 mt -86.88 112.39 46.95 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 123.751 0.82 . . . . 75.129999999999995 109.743 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -57.31 138.69 87.4 Favored 'Trans proline' 0 C--N 1.383 2.357 0 C-N-CA 122.663 2.242 . . . . 74.319999999999993 111.761 172.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -77.12 86.89 3.59 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 122.895 0.478 . . . . 74.349999999999994 109.74 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.36 -75.68 0.81 Allowed Glycine 0 C--N 1.346 1.108 0 CA-C-N 115.28 -0.873 . . . . 72.319999999999993 113.28 177.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -63.02 88.33 0.03 OUTLIER 'General case' 0 C--N 1.351 0.636 0 C-N-CA 124.594 1.157 . . . . 75.219999999999999 109.874 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.413 ' O ' ' HA ' ' A' ' 56' ' ' CYS . 37.1 t90 -106.61 150.8 25.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.966 -1.016 . . . . 73.209999999999994 109.126 174.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.1 mt -113.86 125.71 54.36 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 108.35 -0.981 . . . . 74.299999999999997 108.35 171.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 26.3 p -67.06 164.02 39.55 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 124.054 0.942 . . . . 75.430000000000007 111.547 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -52.36 -26.44 27.68 Favored 'Trans proline' 0 C--N 1.382 2.318 0 C-N-CA 122.642 2.228 . . . . 74.030000000000001 112.503 167.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.584 ' HB2' ' SG ' ' A' ' 82' ' ' CYS . 82.4 mtt-85 -76.43 -19.36 58.16 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.335 1.054 . . . . 74.329999999999998 112.26 177.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.623 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 80.0 m -85.0 -39.77 17.66 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.058 0.543 . . . . 65.239999999999995 110.952 171.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.62 -43.21 83.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 CA-C-N 115.241 -0.89 . . . . 75.329999999999998 111.458 -177.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.486 1.35 0 C-N-CA 123.94 0.896 . . . . 75.420000000000002 110.663 -176.635 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt . . . . . 0 N--CA 1.469 0.479 0 N-CA-C 106.765 -1.568 . . . . 74.109999999999999 106.765 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -140.35 -64.47 0.47 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 113.426 -1.715 . . . . 74.340000000000003 108.202 163.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.3 mt 67.2 115.38 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 125.369 1.468 . . . . 75.310000000000002 110.888 -173.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.588 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 30.9 t -79.83 105.95 11.49 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 108.324 -0.991 . . . . 64.200000000000003 108.324 178.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -50.83 -47.51 60.12 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 124.931 1.395 . . . . 75.420000000000002 113.888 -166.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.459 HG13 ' HE1' ' A' ' 63' ' ' TYR . 60.5 mt -60.44 -45.25 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 112.57 0.582 . . . . 71.340000000000003 112.57 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.731 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 30.3 p -101.8 -12.43 18.32 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 112.442 0.534 . . . . 74.420000000000002 112.442 -167.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.5 t30 69.67 -3.97 1.53 Allowed 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.778 1.231 . . . . 74.099999999999994 112.271 -175.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.507 ' HB2' ' HE1' ' A' ' 64' ' ' HIS . 24.1 mmt-85 -76.52 122.09 24.08 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 121.374 -0.829 . . . . 74.450000000000003 109.824 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -118.89 9.08 12.53 Favored Glycine 0 N--CA 1.481 1.678 0 CA-C-O 119.908 -0.384 . . . . 71.329999999999998 113.883 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -93.37 -47.44 6.88 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.313 0.645 . . . . 73.310000000000002 110.898 -175.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 78.7 t -74.81 85.6 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.489 0.661 . . . . 73.439999999999998 110.174 -177.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -77.09 -22.96 51.97 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.824 -0.625 . . . . 64.219999999999999 111.049 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -61.55 -37.1 82.58 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.097 0.959 . . . . 74.219999999999999 113.398 -177.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.5 p -103.8 7.29 37.06 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-N 118.267 0.485 . . . . 74.109999999999999 111.161 176.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 53.4 ttm -85.91 106.65 17.26 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 123.573 0.749 . . . . 75.420000000000002 110.276 -174.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.3 mt -86.32 156.72 20.11 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.785 1.234 . . . . 74.420000000000002 110.061 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.17 138.5 53.57 Favored 'General case' 0 C--O 1.244 0.773 0 N-CA-C 107.036 -1.468 . . . . 72.530000000000001 107.036 175.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.74 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 52.9 t -71.1 126.48 29.71 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 110.253 -0.277 . . . . 74.019999999999996 110.253 177.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.484 ' HB2' ' HB3' ' A' ' 79' ' ' GLU . 12.5 t70 -60.93 -42.72 98.71 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.188 0.995 . . . . 75.510000000000005 110.987 177.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -97.32 22.97 37.92 Favored Glycine 0 C--N 1.35 1.331 0 CA-C-N 115.348 -0.842 . . . . 74.340000000000003 114.3 -173.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.74 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 11.4 p -176.83 -159.7 0.06 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.991 0.916 . . . . 64.219999999999999 109.862 175.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -129.46 103.74 7.07 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 123.8 0.84 . . . . 54.509999999999998 108.895 177.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -167.37 153.82 8.1 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 123.36 0.664 . . . . 64.519999999999996 109.222 169.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.0 p -111.52 126.88 55.44 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.762 0.825 . . . . 63.539999999999999 110.994 -178.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.459 ' HE1' HG13 ' A' ' 43' ' ' ILE . 96.9 m-85 -136.99 138.65 40.76 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.464 1.106 . . . . 74.140000000000001 109.093 176.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.729 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 39.6 m80 -84.84 168.25 15.28 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 110.195 -0.298 . . . . 72.25 110.195 176.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.3 p -60.36 -52.26 66.01 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.206 1.002 . . . . 72.409999999999997 111.326 173.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -72.38 -23.83 61.17 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.047 0.939 . . . . 74.549999999999997 113.14 -176.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.731 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 60.0 m -70.32 -17.92 63.08 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.182 0.593 . . . . 61.350000000000001 112.182 177.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.5 mt -107.01 161.44 14.73 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.939 0.896 . . . . 73.109999999999999 109.674 177.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.452 HD23 ' H ' ' A' ' 69' ' ' LEU . 1.9 pt? -123.45 125.73 26.01 Favored Pre-proline 0 CA--C 1.552 1.043 0 N-CA-C 108.978 -0.749 . . . . 72.430000000000007 108.978 173.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -77.24 138.54 53.97 Favored 'Cis proline' 0 C--N 1.378 2.124 0 C-N-CA 124.356 -1.101 . . . . 75.519999999999996 112.548 5.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -55.41 101.29 0.08 OUTLIER 'Trans proline' 0 C--N 1.383 2.354 0 C-N-CA 123.006 2.471 . . . . 73.349999999999994 110.881 176.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.6 mt -57.35 114.23 2.1 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.621 1.168 . . . . 74.319999999999993 110.703 -169.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 m -64.05 -19.32 65.13 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.205 1.002 . . . . 73.319999999999993 111.666 -175.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.8 m -149.73 173.72 13.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.715 1.206 . . . . 71.340000000000003 109.377 176.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.4 mm -63.7 126.47 89.82 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 123.582 0.753 . . . . 75.439999999999998 109.965 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -70.43 83.27 0.83 Allowed 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 122.84 2.36 . . . . 73.219999999999999 111.454 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.4 tttt 68.53 -70.57 0.13 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.732 1.613 . . . . 73.219999999999999 111.026 -177.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -164.99 -74.76 0.03 OUTLIER Glycine 0 C--N 1.343 0.939 0 N-CA-C 110.223 -1.151 . . . . 73.319999999999993 110.223 173.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.484 ' HB3' ' HB2' ' A' ' 57' ' ' ASP . 6.9 mp0 -84.34 130.17 34.82 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.696 0.798 . . . . 75.0 109.024 175.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.468 ' O ' ' HA ' ' A' ' 56' ' ' CYS . 65.2 t90 -103.53 139.59 38.66 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.664 0.786 . . . . 75.329999999999998 109.871 -179.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.424 HD22 ' HB3' ' A' ' 57' ' ' ASP . 95.3 mt -94.79 128.61 41.64 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.883 0.873 . . . . 73.5 109.719 175.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.688 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 31.4 p -67.51 158.17 83.36 Favored Pre-proline 0 N--CA 1.476 0.867 0 CA-C-O 119.166 -0.445 . . . . 73.030000000000001 110.395 174.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -50.68 -31.92 34.13 Favored 'Trans proline' 0 C--N 1.383 2.364 0 C-N-CA 122.961 2.44 . . . . 72.200000000000003 114.16 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.498 ' NH2' ' HB ' ' A' ' 87' ' ' VAL . 6.2 tpm_? -74.78 -30.27 61.39 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.416 0.686 . . . . 63.130000000000003 111.071 177.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.688 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 89.9 m -74.61 -33.51 62.62 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.419 0.688 . . . . 74.409999999999997 111.395 175.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.4 t -50.13 -55.85 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.677 0.791 . . . . 74.340000000000003 110.592 173.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.498 ' HB ' ' NH2' ' A' ' 84' ' ' ARG . 22.0 t . . . . . 0 C--O 1.244 0.766 0 N-CA-C 108.212 -1.033 . . . . 75.540000000000006 108.212 169.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 109.594 -0.521 . . . . 75.420000000000002 109.594 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 55.76 71.32 0.56 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.414 1.086 . . . . 75.430000000000007 111.117 178.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.5 mt -117.24 149.31 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.541 1.137 . . . . 70.400000000000006 109.85 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.588 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 53.5 t -62.17 115.68 4.34 Favored 'General case' 0 C--N 1.359 1.022 0 C-N-CA 123.803 0.841 . . . . 73.219999999999999 109.508 178.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -65.51 -19.69 66.03 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 124.61 1.194 . . . . 74.140000000000001 111.375 -175.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.2 mt -84.45 -38.91 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 C-N-CA 123.868 0.867 . . . . 74.409999999999997 109.927 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.795 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 53.8 m -88.1 -31.42 19.23 Favored 'General case' 0 C--O 1.252 1.212 0 N-CA-C 113.14 0.793 . . . . 64.230000000000004 113.14 -170.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 76.87 -43.72 0.45 Allowed 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 125.762 1.625 . . . . 75.239999999999995 111.266 -174.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -87.14 140.65 29.34 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.938 0.495 . . . . 75.329999999999998 109.8 170.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -124.45 45.9 1.14 Allowed Glycine 0 N--CA 1.472 1.052 0 CA-C-N 116.354 -0.385 . . . . 71.530000000000001 113.17 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.78 -54.1 40.5 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.355 0.662 . . . . 75.540000000000006 110.513 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.4 t -79.3 77.6 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-O 121.916 0.865 . . . . 75.310000000000002 109.2 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -75.99 -18.16 59.41 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 114.771 -1.104 . . . . 74.120000000000005 110.804 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -58.69 -35.06 72.02 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.106 0.562 . . . . 72.349999999999994 112.329 175.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 m -100.04 15.2 28.07 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.28 0.632 . . . . 72.129999999999995 111.582 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 41.9 tpp -81.72 111.72 18.23 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 109.266 -0.642 . . . . 75.409999999999997 109.266 -177.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 73.6 mt -93.97 130.3 40.13 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.847 -0.798 . . . . 71.349999999999994 108.847 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -100.04 119.06 37.7 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.56 -1.274 . . . . 71.099999999999994 107.56 177.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 43.7 t -70.16 106.56 3.33 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 108.966 -0.753 . . . . 64.409999999999997 108.966 174.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -58.43 -31.59 67.89 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.842 1.257 . . . . 74.230000000000004 111.086 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.45 32.47 6.21 Favored Glycine 0 C--N 1.347 1.153 0 CA-C-N 115.4 -0.818 . . . . 73.310000000000002 113.191 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.676 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 72.8 m -152.22 -91.67 0.05 Allowed 'General case' 0 CA--C 1.562 1.417 0 C-N-CA 123.933 0.893 . . . . 74.209999999999994 110.876 174.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.0 t70 143.27 -26.99 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 126.55 1.94 . . . . 75.219999999999999 108.585 -157.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.86 158.8 33.83 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.667 0.787 . . . . 71.25 110.663 -178.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.2 m -130.33 142.18 50.55 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.748 0.819 . . . . 71.030000000000001 110.379 -177.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -144.11 139.15 28.7 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.769 1.228 . . . . 74.530000000000001 108.788 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.636 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 45.2 m170 -72.55 146.65 46.59 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 118.261 0.482 . . . . 71.400000000000006 110.102 172.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 17.9 p -50.52 -55.64 15.17 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 124.339 1.024 . . . . 74.319999999999993 111.225 172.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -78.24 -12.9 60.03 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.586 -1.188 . . . . 74.310000000000002 113.767 -171.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.795 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 65.9 m -90.32 -21.77 21.87 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.096 0.558 . . . . 73.239999999999995 111.624 -177.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.7 mt -73.92 161.85 29.69 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.514 0.726 . . . . 74.129999999999995 110.076 174.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.1 mt -121.83 123.44 27.41 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 108.923 -0.769 . . . . 64.0 108.923 173.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -73.89 138.97 58.87 Favored 'Cis proline' 0 C--N 1.389 2.669 0 CA-C-N 119.882 0.994 . . . . 72.430000000000007 111.767 -5.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.96 134.84 64.95 Favored 'Trans proline' 0 C--N 1.38 2.187 0 C-N-CA 122.943 2.429 . . . . 73.450000000000003 112.315 -178.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.412 ' O ' ' HB ' ' A' ' 65' ' ' THR . 53.5 mt -86.58 117.63 25.47 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 107.828 -1.175 . . . . 52.310000000000002 107.828 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 m -72.33 -16.64 61.88 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 123.286 0.635 . . . . 73.540000000000006 111.542 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 56.4 p -138.26 148.08 44.33 Favored 'General case' 0 C--O 1.244 0.79 0 C-N-CA 124.16 0.984 . . . . 73.430000000000007 110.171 -173.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.579 HG21 ' H ' ' A' ' 77' ' ' LYS . 70.6 mt -91.58 129.36 43.02 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 124.587 1.155 . . . . 73.409999999999997 109.079 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.46 -5.91 16.3 Favored 'Trans proline' 0 C--N 1.384 2.436 0 C-N-CA 123.085 2.523 . . . . 63.329999999999998 113.956 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.579 ' H ' HG21 ' A' ' 75' ' ' ILE . 97.1 mttt 53.9 13.66 0.57 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 125.916 1.686 . . . . 65.519999999999996 115.123 178.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.34 -125.76 0.8 Allowed Glycine 0 C--N 1.342 0.907 0 CA-C-O 119.187 -0.785 . . . . 73.340000000000003 111.24 -178.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -63.79 101.52 0.37 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.663 0.785 . . . . 64.450000000000003 111.319 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -112.32 143.03 44.1 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 107.834 -1.173 . . . . 75.129999999999995 107.834 169.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.9 mt -118.34 134.56 54.94 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.813 -0.81 . . . . 72.310000000000002 108.813 177.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.686 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 28.1 p -67.23 157.07 86.51 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 123.51 0.724 . . . . 63.210000000000001 110.64 175.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.407 ' O ' HG23 ' A' ' 87' ' ' VAL . 81.8 Cg_exo -50.21 -32.7 33.41 Favored 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 122.649 2.233 . . . . 75.5 113.171 172.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.432 ' HB3' ' SG ' ' A' ' 82' ' ' CYS . 57.2 ttm-85 -62.21 -37.49 85.52 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.996 0.918 . . . . 74.019999999999996 111.521 177.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 78.5 m -64.53 -32.21 73.76 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 120.99 0.424 . . . . 73.430000000000007 111.686 177.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.6 t -76.66 -37.03 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 CA-C-N 115.341 -0.845 . . . . 74.329999999999998 110.613 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 83' ' ' PRO . 86.9 t . . . . . 0 N--CA 1.487 1.378 0 C-N-CA 123.454 0.701 . . . . 64.310000000000002 111.118 177.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp . . . . . 0 N--CA 1.474 0.735 0 N-CA-C 108.264 -1.013 . . . . 74.430000000000007 108.264 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -57.88 99.89 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 114.196 -1.365 . . . . 74.540000000000006 112.818 -164.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.7 mt -73.11 131.69 34.51 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 CA-C-N 114.677 -1.147 . . . . 73.400000000000006 109.227 177.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.461 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 48.1 t -71.72 131.25 42.86 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 108.909 -0.774 . . . . 72.329999999999998 108.909 175.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -75.83 -9.21 58.41 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 122.676 0.39 . . . . 72.329999999999998 111.472 -175.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.8 mt -113.6 -44.59 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 123.668 0.787 . . . . 73.319999999999993 110.143 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.699 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 34.0 m -96.37 -27.43 14.94 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.431 0.692 . . . . 60.130000000000003 112.493 -171.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 75.55 -54.67 0.63 Allowed 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 125.547 1.539 . . . . 73.430000000000007 111.648 -169.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -90.84 116.9 29.03 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.149 0.58 . . . . 74.019999999999996 109.974 -172.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.81 72.7 1.41 Allowed Glycine 0 C--N 1.34 0.754 0 CA-C-N 116.032 -0.531 . . . . 72.129999999999995 112.315 177.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.89 -59.43 4.19 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.513 0.725 . . . . 73.140000000000001 109.319 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.4 t -88.02 84.1 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 115.021 -0.991 . . . . 73.099999999999994 108.563 172.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.29 -18.22 63.11 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 115.608 -0.723 . . . . 74.510000000000005 110.235 176.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -61.84 -36.39 81.03 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.093 0.957 . . . . 75.420000000000002 110.97 178.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.0 m -96.39 1.39 51.7 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.277 0.631 . . . . 73.109999999999999 110.888 -177.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 47.0 ttm -79.63 106.58 11.76 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 121.008 0.433 . . . . 70.109999999999999 110.008 -177.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.569 ' HB3' ' HB3' ' A' ' 80' ' ' TRP . 23.3 mt -86.22 135.77 33.44 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 125.226 1.41 . . . . 72.409999999999997 109.439 175.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -102.58 123.69 46.77 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.309 0.644 . . . . 74.549999999999997 110.393 -177.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 42.2 t -76.64 107.08 8.68 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 123.743 0.652 . . . . 73.430000000000007 109.74 175.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -54.61 -44.8 73.42 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.232 1.013 . . . . 74.519999999999996 111.118 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.22 42.91 1.82 Allowed Glycine 0 C--N 1.342 0.907 0 CA-C-N 115.577 -0.738 . . . . 64.230000000000004 113.455 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.559 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 87.4 m -157.18 -169.87 3.08 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.68 1.192 . . . . 65.219999999999999 108.628 169.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -108.67 4.41 23.83 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.396 1.078 . . . . 74.409999999999997 109.363 174.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.41 150.35 21.12 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 124.262 1.025 . . . . 75.409999999999997 111.246 -163.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.0 m -128.05 133.6 49.1 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.139 0.975 . . . . 74.329999999999998 108.718 173.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.434 ' HB2' ' HZ3' ' A' ' 80' ' ' TRP . 44.1 m-85 -127.26 151.71 48.37 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 107.847 -1.168 . . . . 73.450000000000003 107.847 178.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.513 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 43.1 m80 -89.69 161.93 15.84 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 107.879 -1.156 . . . . 75.540000000000006 107.879 170.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.589 HG21 HG12 ' A' ' 75' ' ' ILE . 42.2 p -59.56 -34.53 72.79 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 121.456 0.646 . . . . 72.340000000000003 110.066 175.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -105.24 30.82 5.32 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.02 0.928 . . . . 75.230000000000004 111.782 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.699 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 49.1 m -96.0 -4.86 42.41 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.257 0.623 . . . . 73.040000000000006 110.816 170.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.8 mt -111.13 162.24 15.12 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.211 0.604 . . . . 73.140000000000001 110.808 -170.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.8 mt -130.1 111.25 16.94 Favored Pre-proline 0 CA--C 1.558 1.278 0 C-N-CA 124.094 0.958 . . . . 72.319999999999993 109.468 176.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.61 147.19 88.76 Favored 'Cis proline' 0 C--N 1.375 1.946 0 CA-C-N 120.068 1.06 . . . . 71.200000000000003 111.701 -5.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.31 152.83 61.52 Favored 'Trans proline' 0 C--N 1.369 1.638 0 C-N-CA 122.969 2.446 . . . . 61.520000000000003 112.79 -173.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.433 ' O ' ' HB ' ' A' ' 65' ' ' THR . 51.2 mt -73.81 87.12 1.73 Allowed 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 108.612 -0.884 . . . . 72.25 108.612 172.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.4 p -65.76 -23.98 66.85 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.914 0.886 . . . . 72.150000000000006 110.98 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.2 m -104.79 132.48 50.98 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 124.009 0.924 . . . . 72.219999999999999 108.671 167.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.589 HG12 HG21 ' A' ' 65' ' ' THR . 55.9 mt -72.56 127.18 90.31 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 123.296 0.638 . . . . 74.340000000000003 109.376 174.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -66.4 -166.13 0.1 Allowed 'Trans proline' 0 C--N 1.374 1.9 0 C-N-CA 123.13 2.553 . . . . 71.409999999999997 113.753 177.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -82.16 79.74 8.57 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.58 0.752 . . . . 72.420000000000002 110.825 -171.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.36 -108.16 2.32 Favored Glycine 0 C--N 1.35 1.311 0 N-CA-C 111.871 -0.492 . . . . 64.010000000000005 111.871 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -76.71 156.68 32.32 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.296 0.638 . . . . 73.239999999999995 109.311 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.569 ' HB3' ' HB3' ' A' ' 54' ' ' LEU . 43.8 t90 -149.23 131.61 15.63 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.362 0.665 . . . . 73.430000000000007 110.02 -170.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.9 mt -76.19 133.51 40.15 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.322 0.649 . . . . 75.420000000000002 110.097 176.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 26.8 p -55.71 151.04 23.89 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 123.745 0.818 . . . . 75.420000000000002 110.611 174.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.451 ' O ' HG22 ' A' ' 87' ' ' VAL . 31.2 Cg_exo -58.75 -27.29 83.14 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.761 2.308 . . . . 73.409999999999997 112.213 -176.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -62.99 -38.34 90.78 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.978 1.311 . . . . 75.450000000000003 111.257 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 78.0 m -68.14 -35.05 77.46 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 123.257 0.623 . . . . 70.530000000000001 110.902 174.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.4 t -74.94 -34.65 33.32 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 C-N-CA 123.414 0.685 . . . . 75.540000000000006 111.047 -175.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 83' ' ' PRO . 99.1 t . . . . . 0 N--CA 1.489 1.5 0 C-N-CA 123.625 0.77 . . . . 63.210000000000001 110.145 175.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.4 tttm . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 109.61 -0.515 . . . . 75.239999999999995 109.61 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -58.82 104.83 0.26 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.805 0.842 . . . . 74.019999999999996 113.042 -167.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.9 mm -93.15 148.43 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.672 1.189 . . . . 74.310000000000002 109.693 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 23.1 t -73.65 109.22 6.99 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 107.854 -1.165 . . . . 73.430000000000007 107.854 169.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -54.26 -49.31 69.84 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 124.528 1.142 . . . . 63.420000000000002 111.369 -170.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 62.0 mt -58.27 -34.54 50.29 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.426 0 C-N-CA 124.479 1.112 . . . . 75.430000000000007 112.563 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 94.8 m -85.42 -33.21 21.98 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-O 119.115 -0.469 . . . . 65.120000000000005 111.783 -177.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.5 t30 65.32 14.51 9.47 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 124.784 1.302 . . . . 61.020000000000003 110.456 -166.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -130.11 146.64 51.78 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 125.272 1.429 . . . . 75.549999999999997 109.806 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -118.39 30.33 6.04 Favored Glycine 0 N--CA 1.467 0.75 0 CA-C-N 115.755 -0.657 . . . . 63.310000000000002 111.494 171.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.2 -55.14 20.24 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.069 0.948 . . . . 73.329999999999998 110.3 -174.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.6 t -97.34 65.55 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 CA-C-O 121.836 0.827 . . . . 74.129999999999995 108.896 176.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 53' ' ' MET . 8.8 pt-20 -71.07 -19.36 62.49 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 115.478 -0.783 . . . . 72.450000000000003 112.11 -177.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.88 -28.9 70.35 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 120.992 0.425 . . . . 74.319999999999993 111.09 175.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.3 t -105.02 17.24 24.47 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.524 -0.762 . . . . 71.329999999999998 111.837 -174.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.565 ' HA ' ' HA ' ' A' ' 64' ' ' HIS . 16.5 ptp -98.2 133.14 43.04 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 121.129 0.49 . . . . 74.129999999999995 109.714 170.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.5 mp -105.68 139.0 40.93 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 107.296 -1.372 . . . . 54.140000000000001 107.296 172.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 45.6 tp -101.18 121.15 41.33 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 108.345 -0.983 . . . . 73.450000000000003 108.345 -178.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 43.4 t -63.05 115.76 4.72 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 123.618 0.767 . . . . 63.310000000000002 111.083 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.94 -27.42 65.72 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.517 0.727 . . . . 64.319999999999993 110.374 175.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.11 2.0 77.72 Favored Glycine 0 CA--C 1.54 1.594 0 N-CA-C 114.962 0.745 . . . . 41.530000000000001 114.962 178.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 27.6 p -160.04 -155.31 0.43 Allowed 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.976 0.91 . . . . 63.450000000000003 109.732 176.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -108.04 -14.37 14.75 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.65 0.78 . . . . 71.450000000000003 111.516 -177.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -87.88 145.56 26.0 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 112.687 0.625 . . . . 71.140000000000001 112.687 -163.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.8 t -102.12 132.63 47.89 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.422 1.089 . . . . 74.329999999999998 109.963 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -132.42 132.44 42.79 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.803 0.841 . . . . 74.140000000000001 109.368 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.776 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 30.9 m170 -67.71 161.35 26.14 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 117.922 0.328 . . . . 73.239999999999995 110.597 170.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.6 p -52.5 -56.77 12.85 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 124.558 1.161 . . . . 64.540000000000006 110.799 169.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.55 ' HA ' ' HB3' ' A' ' 71' ' ' PRO . 32.0 p90 -77.2 -10.66 59.55 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 114.228 -1.351 . . . . 74.230000000000004 113.485 -172.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 92.4 m -78.67 -16.4 57.34 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.235 0.614 . . . . 74.040000000000006 112.514 178.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 70.3 mt -104.77 159.17 16.0 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.443 0.697 . . . . 74.209999999999994 111.103 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mp -113.75 114.82 46.76 Favored Pre-proline 0 CA--C 1.548 0.898 0 N-CA-C 107.915 -1.143 . . . . 74.019999999999996 107.915 172.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -80.0 147.94 77.83 Favored 'Cis proline' 0 C--N 1.378 2.103 0 CA-C-N 120.213 1.112 . . . . 74.099999999999994 112.845 0.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.55 ' HB3' ' HA ' ' A' ' 66' ' ' PHE . 54.2 Cg_exo -56.49 122.4 11.73 Favored 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 122.471 2.114 . . . . 74.450000000000003 111.446 174.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.1 mt -75.43 81.6 2.49 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.265 0.626 . . . . 73.420000000000002 109.934 -172.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.3 m -64.32 -28.84 69.99 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-O 121.704 0.764 . . . . 73.450000000000003 110.458 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.7 p -115.16 141.25 48.27 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 124.573 1.149 . . . . 73.099999999999994 108.727 169.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.2 mt -73.52 114.77 34.99 Favored Pre-proline 0 CA--C 1.55 0.95 0 N-CA-C 108.17 -1.048 . . . . 74.019999999999996 108.17 171.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.04 101.01 0.32 Allowed 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.424 2.083 . . . . 74.010000000000005 111.996 -177.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.4 tptt 69.48 -73.7 0.09 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.824 1.65 . . . . 74.549999999999997 110.625 177.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -170.37 -77.93 0.04 OUTLIER Glycine 0 C--O 1.242 0.644 0 N-CA-C 109.771 -1.332 . . . . 55.130000000000003 109.771 173.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -64.12 144.47 57.09 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.945 0.898 . . . . 72.109999999999999 109.506 170.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -138.74 143.75 39.17 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.591 0.71 . . . . 63.32 111.478 -171.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.4 mt -114.87 132.39 56.53 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 125.227 1.411 . . . . 75.120000000000005 108.09 173.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.801 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 31.6 p -68.35 139.76 92.32 Favored Pre-proline 0 N--CA 1.471 0.623 0 CA-C-O 118.628 -0.701 . . . . 62.140000000000001 109.819 176.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.401 ' O ' HG23 ' A' ' 87' ' ' VAL . 70.3 Cg_exo -45.06 -31.09 5.3 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 124.081 3.187 . . . . 70.200000000000003 114.075 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -62.99 -48.49 78.61 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.266 1.027 . . . . 74.340000000000003 111.194 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.801 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 62.1 m -71.77 -27.32 62.88 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.696 0.798 . . . . 72.230000000000004 111.473 -178.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.4 t -70.05 -22.96 24.82 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 C-N-CA 123.847 0.859 . . . . 75.040000000000006 111.073 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 83' ' ' PRO . 93.4 t . . . . . 0 N--CA 1.487 1.407 0 C-N-CA 122.956 0.502 . . . . 71.230000000000004 111.956 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.545 0.771 0 N-CA-C 108.96 -0.756 . . . . 75.510000000000005 108.96 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -84.72 93.61 8.48 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.102 -1.073 . . . . 71.430000000000007 108.102 170.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.2 mm -108.73 143.94 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 124.825 1.25 . . . . 75.329999999999998 109.102 -178.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.704 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 41.0 t -67.19 97.42 0.53 Allowed 'General case' 0 C--N 1.351 0.666 0 N-CA-C 107.586 -1.264 . . . . 73.450000000000003 107.586 171.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -51.39 -39.51 57.35 Favored 'General case' 0 C--O 1.248 1.002 0 C-N-CA 125.751 1.62 . . . . 72.120000000000005 112.883 -171.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.3 mt -60.98 -47.24 94.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.233 0.613 . . . . 75.120000000000005 111.357 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.589 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 62.6 m -89.2 -23.9 22.28 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 112.277 0.473 . . . . 72.450000000000003 112.277 -168.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 64.4 t30 57.96 33.98 23.79 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.307 1.043 . . . . 75.319999999999993 110.014 -167.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -126.41 132.98 51.39 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.918 0.887 . . . . 74.239999999999995 109.489 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.49 ' HA2' ' HE3' ' A' ' 53' ' ' MET . . . -111.41 19.16 24.64 Favored Glycine 0 CA--C 1.526 0.77 0 O-C-N 123.941 0.775 . . . . 61.020000000000003 111.837 170.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.2 -69.53 0.35 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.616 1.166 . . . . 52.509999999999998 110.232 -174.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.9 t -83.38 87.71 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 108.449 -0.945 . . . . 64.430000000000007 108.449 175.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -78.57 -25.43 45.36 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 114.893 -1.049 . . . . 74.019999999999996 111.635 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -59.44 -35.64 74.42 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.219 1.008 . . . . 73.010000000000005 112.807 -173.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.427 ' HA ' HD11 ' A' ' 75' ' ' ILE . 19.7 m -102.48 3.86 38.05 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.183 0.593 . . . . 70.420000000000002 111.214 -176.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.49 ' HE3' ' HA2' ' A' ' 47' ' ' GLY . 45.0 ttm -80.28 121.59 25.84 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 109.104 -0.702 . . . . 75.140000000000001 109.104 -179.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.459 HD23 HG22 ' A' ' 75' ' ' ILE . 87.6 mt -112.77 143.15 44.49 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 124.368 1.067 . . . . 73.019999999999996 109.537 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -100.5 127.86 46.73 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 105.804 -1.925 . . . . 75.230000000000004 105.804 174.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.749 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 50.2 t -68.43 108.91 3.44 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.385 -0.598 . . . . 63.32 109.385 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -61.16 -26.68 67.86 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.263 1.025 . . . . 73.209999999999994 112.382 -171.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -89.58 -16.95 56.04 Favored Glycine 0 C--N 1.346 1.111 0 N-CA-C 114.402 0.521 . . . . 64.010000000000005 114.402 -176.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.727 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 19.8 p -146.22 -159.67 1.05 Allowed 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 117.862 0.831 . . . . 74.200000000000003 111.079 -172.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -116.14 97.69 6.21 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 124.343 1.057 . . . . 75.239999999999995 108.838 175.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -173.61 160.29 3.75 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.97 0.908 . . . . 73.329999999999998 108.881 174.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.6 m -138.73 130.72 28.07 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.269 0.628 . . . . 74.239999999999995 109.945 177.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -130.24 140.43 50.7 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.043 1.337 . . . . 63.350000000000001 108.39 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.67 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 33.4 m170 -72.04 156.5 39.15 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 108.778 -0.823 . . . . 75.329999999999998 108.778 164.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.473 ' HA ' HD11 ' A' ' 72' ' ' LEU . 48.2 p -59.53 -39.92 85.48 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 123.903 0.752 . . . . 63.329999999999998 110.623 171.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -91.74 9.96 30.36 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.94 -1.027 . . . . 75.340000000000003 113.094 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.704 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 67.4 m -78.43 -43.67 26.72 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.272 0.558 . . . . 74.040000000000006 110.077 168.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.8 mt -82.54 138.36 34.3 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.777 -1.101 . . . . 75.120000000000005 109.135 -178.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.33 129.45 25.33 Favored Pre-proline 0 N--CA 1.479 0.999 0 CA-C-O 118.961 -0.542 . . . . 74.310000000000002 110.056 173.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -66.84 140.98 53.12 Favored 'Cis proline' 0 C--N 1.385 2.494 0 CA-C-N 119.935 1.013 . . . . 73.099999999999994 113.231 -1.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.71 148.77 86.52 Favored 'Trans proline' 0 C--N 1.381 2.271 0 C-N-CA 123.323 2.682 . . . . 72.519999999999996 113.768 -174.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 65' ' ' THR . 61.8 mt -68.7 119.47 13.15 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.852 0.861 . . . . 72.040000000000006 109.396 -178.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.8 m -64.65 -38.69 91.87 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 123.961 0.788 . . . . 74.239999999999995 111.925 -170.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.1 m -145.17 148.71 33.86 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.394 0.677 . . . . 72.150000000000006 110.623 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.459 HG22 HD23 ' A' ' 54' ' ' LEU . 57.6 mt -77.98 119.89 79.12 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 115.013 -0.994 . . . . 73.099999999999994 109.203 174.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -84.19 44.0 1.46 Allowed 'Trans proline' 0 C--N 1.372 1.766 0 C-N-CA 123.417 2.745 . . . . 75.420000000000002 111.639 177.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt 63.2 -80.8 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.104 1.362 . . . . 72.239999999999995 111.03 -174.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -154.79 6.02 0.29 Allowed Glycine 0 N--CA 1.468 0.805 0 N-CA-C 110.232 -1.147 . . . . 72.420000000000002 110.232 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -86.74 42.53 1.02 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.137 1.375 . . . . 72.530000000000001 109.871 -178.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 82.3 t90 -118.52 130.57 56.0 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 108.661 -0.866 . . . . 75.310000000000002 108.661 -170.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.5 mt -107.08 138.72 42.73 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 124.434 1.093 . . . . 74.430000000000007 109.337 173.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.717 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 29.0 p -71.84 153.3 93.13 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 109.162 -0.681 . . . . 74.420000000000002 109.162 171.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.566 ' HG2' HH11 ' A' ' 84' ' ' ARG . 37.8 Cg_endo -61.74 -18.54 61.07 Favored 'Trans proline' 0 C--N 1.371 1.733 0 C-N-CA 122.47 2.113 . . . . 71.329999999999998 112.504 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.566 HH11 ' HG2' ' A' ' 83' ' ' PRO . 6.8 mpt_? -63.63 -53.9 44.2 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.26 1.024 . . . . 75.129999999999995 109.426 174.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.749 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 97.4 m -56.29 -39.4 72.64 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 123.868 0.867 . . . . 61.32 112.049 -177.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 49.1 t -63.12 -43.64 99.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 114.823 -1.08 . . . . 75.109999999999999 110.724 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.6 m . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 113.185 0.809 . . . . 62.229999999999997 113.185 -172.313 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 108.801 -0.815 . . . . 71.239999999999995 108.801 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.43 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 73.2 m-85 -64.89 -60.15 3.39 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.003 0.521 . . . . 74.120000000000005 110.546 175.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.4 mt 62.68 109.85 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 125.563 1.545 . . . . 73.109999999999999 113.268 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 22.1 t -75.13 88.14 2.44 Favored 'General case' 0 C--N 1.346 0.448 0 N-CA-C 106.748 -1.575 . . . . 75.010000000000005 106.748 168.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -39.95 -42.57 1.38 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 125.125 1.515 . . . . 73.310000000000002 112.628 -171.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.6 mt -56.4 -52.19 55.25 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 C-N-CA 124.185 0.994 . . . . 75.439999999999998 112.404 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 21.2 p -100.18 -1.03 37.59 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 122.001 -0.437 . . . . 72.549999999999997 111.419 -174.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 63.61 10.67 5.15 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.132 1.373 . . . . 74.25 113.14 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -83.21 112.68 20.08 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.493 0.717 . . . . 74.140000000000001 110.729 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.51 73.33 0.23 Allowed Glycine 0 C--O 1.241 0.547 0 N-CA-C 107.679 -2.168 . . . . 64.340000000000003 107.679 169.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -170.52 -44.46 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 109.002 -0.74 . . . . 74.530000000000001 109.002 -159.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.8 t -97.5 78.68 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.204 0.601 . . . . 74.129999999999995 109.713 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.557 ' HA ' ' HB3' ' A' ' 53' ' ' MET . 2.8 mp0 -81.52 -18.94 43.31 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.136 0.574 . . . . 74.230000000000004 110.627 173.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -55.36 -36.81 66.73 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.652 1.181 . . . . 73.400000000000006 112.914 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.0 t -103.38 0.65 31.59 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.319 0.648 . . . . 73.120000000000005 111.48 177.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.557 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 40.9 ttm -100.25 131.65 46.07 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.985 0.514 . . . . 74.519999999999996 110.46 -171.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.486 HD11 HG21 ' A' ' 65' ' ' THR . 6.0 mp -103.71 152.82 21.37 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.057 1.343 . . . . 74.109999999999999 109.401 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -102.01 137.36 40.39 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.887 -0.597 . . . . 75.150000000000006 109.707 174.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.848 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 49.5 t -82.23 133.3 35.25 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.308 -0.86 . . . . 73.25 109.822 176.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -78.46 -50.94 10.76 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.627 0.371 . . . . 71.519999999999996 111.017 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.22 -17.24 69.95 Favored Glycine 0 C--N 1.349 1.258 0 CA-C-N 115.714 -0.676 . . . . 71.439999999999998 114.434 -170.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 6.3 p -165.59 177.84 7.09 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.314 1.046 . . . . 63.299999999999997 109.753 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -92.86 91.42 7.43 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.41 0.684 . . . . 55.100000000000001 109.253 -172.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -135.53 148.77 49.27 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 108.661 -0.866 . . . . 72.450000000000003 108.661 177.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.517 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 30.1 m -138.19 121.1 16.56 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 108.144 -1.058 . . . . 75.430000000000007 108.144 174.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -149.34 145.59 27.09 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.668 0.787 . . . . 72.239999999999995 110.575 -173.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.491 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 31.2 m170 -76.08 155.68 34.57 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.246 0.618 . . . . 61.420000000000002 110.384 174.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.67 HG23 HG12 ' A' ' 75' ' ' ILE . 7.9 p -59.06 -51.73 68.8 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.605 0.762 . . . . 60.420000000000002 111.219 172.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -74.48 -11.92 60.35 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 114.856 -1.065 . . . . 75.230000000000004 112.334 -173.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 84.0 m -90.77 -21.86 21.33 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-N 118.202 0.455 . . . . 73.120000000000005 112.089 -177.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.7 mt -83.28 42.78 0.84 Allowed 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 113.668 0.988 . . . . 73.420000000000002 113.668 -172.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mp -55.45 120.18 29.51 Favored Pre-proline 0 N--CA 1.5 2.072 0 C-N-CA 123.55 0.74 . . . . 75.519999999999996 112.157 -174.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -67.11 117.44 2.31 Favored 'Cis proline' 0 C--N 1.389 2.666 0 CA-C-N 120.392 1.176 . . . . 74.140000000000001 112.727 5.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -74.65 160.88 40.56 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.889 2.393 . . . . 74.230000000000004 114.112 -160.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.6 mt -77.42 82.74 3.86 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 108.436 -0.95 . . . . 73.219999999999999 108.436 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 t -61.86 -22.83 65.86 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.818 0.847 . . . . 74.239999999999995 112.001 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.5 t -125.75 136.55 53.29 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 107.24 -1.393 . . . . 64.340000000000003 107.24 165.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.67 HG12 HG23 ' A' ' 65' ' ' THR . 26.3 mt -73.21 123.36 89.44 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 123.682 0.793 . . . . 73.439999999999998 110.301 -178.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -48.42 127.86 16.6 Favored 'Trans proline' 0 C--N 1.384 2.428 0 C-N-CA 123.458 2.772 . . . . 74.219999999999999 111.766 169.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -47.59 81.4 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 125.681 1.593 . . . . 74.140000000000001 113.335 -177.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.03 -86.34 1.5 Allowed Glycine 0 C--N 1.348 1.207 0 CA-C-N 114.645 -1.161 . . . . 72.030000000000001 112.299 175.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -95.34 123.93 39.11 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.477 0.711 . . . . 73.200000000000003 110.468 -173.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 31.5 t90 -101.28 150.07 23.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.862 1.265 . . . . 72.150000000000006 111.022 -172.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.5 mt -115.56 127.93 55.6 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.55 -0.907 . . . . 75.099999999999994 108.55 172.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.718 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 26.4 p -77.4 161.5 72.28 Favored Pre-proline 0 CA--C 1.552 1.019 0 C-N-CA 123.084 0.554 . . . . 73.319999999999993 110.345 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -48.13 -33.89 22.38 Favored 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 123.042 2.495 . . . . 72.099999999999994 113.31 168.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.639 ' HB2' ' SG ' ' A' ' 82' ' ' CYS . 92.2 mtt180 -61.82 -40.73 96.29 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.879 0.872 . . . . 72.510000000000005 111.249 175.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.848 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 83.2 m -73.52 -28.38 61.87 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.446 0.698 . . . . 63.409999999999997 111.751 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.1 t -66.33 -41.54 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.229 0.611 . . . . 74.209999999999994 109.545 173.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 N--CA 1.487 1.377 0 C-N-CA 123.558 0.743 . . . . 73.120000000000005 110.652 173.586 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 108.98 -0.748 . . . . 72.230000000000004 108.98 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -70.41 -72.58 0.2 Allowed 'General case' 0 C--O 1.243 0.719 0 O-C-N 123.591 0.557 . . . . 74.019999999999996 109.547 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.0 mt 63.64 127.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 125.494 1.517 . . . . 74.239999999999995 112.021 175.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 53.0 t -61.49 105.91 0.58 Allowed 'General case' 0 C--N 1.35 0.608 0 N-CA-C 109.158 -0.682 . . . . 71.329999999999998 109.158 176.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -62.47 -14.68 43.91 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 125.465 1.506 . . . . 72.25 112.301 -173.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.3 mt -94.38 -34.59 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 C-N-CA 123.297 0.639 . . . . 75.140000000000001 110.211 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.75 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 84.0 m -80.74 -24.92 38.36 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 122.826 0.45 . . . . 70.040000000000006 111.698 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.8 t30 74.86 -24.7 0.21 Allowed 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 125.421 1.488 . . . . 72.120000000000005 111.877 -172.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -109.84 167.55 10.07 Favored 'General case' 0 C--O 1.244 0.801 0 C-N-CA 124.265 1.026 . . . . 73.400000000000006 110.83 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -99.7 39.96 2.59 Favored Glycine 0 C--N 1.345 1.064 0 CA-C-N 115.293 -0.867 . . . . 75.340000000000003 113.314 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -72.1 156.84 38.75 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.358 -0.608 . . . . 73.230000000000004 109.358 174.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.0 t 43.09 55.07 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 125.11 1.364 . . . . 75.230000000000004 111.167 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.444 ' HA ' ' HE1' ' A' ' 53' ' ' MET . 14.9 pt-20 -65.44 -21.53 66.66 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 114.564 -1.198 . . . . 65.200000000000003 112.441 -172.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -64.47 -37.11 86.41 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.715 0.806 . . . . 73.219999999999999 110.692 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.3 m -97.02 13.28 29.56 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.282 0.633 . . . . 62.020000000000003 111.55 -175.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.444 ' HE1' ' HA ' ' A' ' 50' ' ' GLU . 46.1 ttm -84.32 102.51 12.76 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 108.656 -0.868 . . . . 75.340000000000003 108.656 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.2 mt -74.32 145.93 43.52 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.148 -0.933 . . . . 74.340000000000003 108.961 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.67 116.51 25.44 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.972 -1.121 . . . . 74.340000000000003 107.972 175.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.786 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 43.6 t -57.7 110.4 0.89 Allowed 'General case' 0 C--N 1.354 0.789 0 O-C-N 123.714 0.634 . . . . 63.299999999999997 109.741 173.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -58.38 -30.08 66.51 Favored 'General case' 0 CA--C 1.562 1.415 0 O-C-N 124.066 0.854 . . . . 75.219999999999999 111.764 -177.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.537 ' O ' ' SG ' ' A' ' 59' ' ' CYS . . . -118.22 59.26 0.5 Allowed Glycine 0 CA--C 1.544 1.872 0 CA-C-N 115.477 -0.783 . . . . 62.210000000000001 113.398 177.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.782 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 64.8 m -173.72 -34.86 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 126.274 1.83 . . . . 75.200000000000003 110.272 168.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.6 t70 61.14 56.57 2.71 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 122.944 1.354 . . . . 74.239999999999995 109.284 -168.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -125.7 134.37 51.83 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 107.356 -1.35 . . . . 70.530000000000001 107.356 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.5 m -102.16 122.2 43.7 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.729 0.812 . . . . 62.119999999999997 110.568 -169.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -136.0 138.24 42.05 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.296 1.038 . . . . 73.209999999999994 108.252 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.676 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 26.6 m170 -74.49 156.29 37.07 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 118.34 0.518 . . . . 73.400000000000006 109.969 170.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 36.8 p -53.59 -45.93 70.17 Favored 'General case' 0 CA--C 1.553 1.06 0 O-C-N 124.652 1.22 . . . . 75.019999999999996 111.357 170.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -85.74 -23.74 27.2 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 115.239 -0.891 . . . . 75.439999999999998 113.187 -175.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.75 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 86.9 m -69.06 -25.61 64.54 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 118.252 0.478 . . . . 72.129999999999995 112.041 -179.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.5 mt -80.63 155.44 26.85 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.557 -0.534 . . . . 74.120000000000005 109.557 172.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 pp -124.97 136.45 28.11 Favored Pre-proline 0 CA--C 1.549 0.917 0 N-CA-C 108.857 -0.794 . . . . 64.25 108.857 169.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -64.09 137.55 28.28 Favored 'Cis proline' 0 C--N 1.378 2.095 0 CA-C-N 120.018 1.042 . . . . 71.450000000000003 112.393 -7.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -68.42 124.85 12.1 Favored 'Trans proline' 0 C--N 1.371 1.733 0 C-N-CA 122.637 2.225 . . . . 74.209999999999994 112.803 -173.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.426 ' O ' ' HB ' ' A' ' 65' ' ' THR . 48.5 mt -65.87 113.54 4.44 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.548 -0.751 . . . . 74.409999999999997 109.322 172.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.1 p -80.42 -1.29 40.83 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.528 0.731 . . . . 63.299999999999997 111.901 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.3 t -155.34 176.83 12.06 Favored 'General case' 0 C--O 1.248 1.021 0 C-N-CA 124.335 1.054 . . . . 74.439999999999998 109.269 -177.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.0 mt -64.6 128.28 93.3 Favored Pre-proline 0 CA--C 1.559 1.3 0 N-CA-C 109.288 -0.634 . . . . 75.239999999999995 109.288 172.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -64.24 177.52 2.0 Allowed 'Trans proline' 0 C--N 1.375 1.947 0 C-N-CA 123.284 2.656 . . . . 74.340000000000003 113.881 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -64.55 97.42 0.21 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.165 0.986 . . . . 74.549999999999997 111.254 -176.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 63.46 -136.06 42.14 Favored Glycine 0 C--N 1.35 1.329 0 O-C-N 123.658 0.599 . . . . 64.120000000000005 111.782 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -69.78 150.52 46.8 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.346 -0.613 . . . . 64.5 109.346 173.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -111.76 131.84 55.05 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 121.194 0.521 . . . . 75.019999999999996 110.121 -173.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.441 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 82.0 mt -104.94 132.35 51.3 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.271 1.028 . . . . 62.219999999999999 109.162 173.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.786 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 19.2 p -66.58 159.69 72.2 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 123.339 0.656 . . . . 73.5 111.153 175.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.427 ' HB2' ' NH2' ' A' ' 84' ' ' ARG . 51.7 Cg_exo -56.84 -20.5 36.07 Favored 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 122.582 2.188 . . . . 71.510000000000005 112.88 171.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.696 ' HB2' ' SG ' ' A' ' 82' ' ' CYS . 0.0 OUTLIER -62.41 -47.03 85.91 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.796 0.839 . . . . 72.299999999999997 110.287 171.121 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.705 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 59.0 m -66.79 -39.48 87.79 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.62 0.768 . . . . 75.109999999999999 111.066 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.7 t -66.68 -43.14 90.37 Favored 'Isoleucine or valine' 0 C--O 1.247 0.947 0 CA-C-N 114.761 -1.108 . . . . 74.510000000000005 109.774 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.0 t . . . . . 0 N--CA 1.493 1.7 0 C-N-CA 126.088 1.755 . . . . 75.099999999999994 111.045 -176.946 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 109.718 -0.475 . . . . 71.239999999999995 109.718 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -112.54 73.58 0.82 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 108.737 -0.838 . . . . 72.329999999999998 108.737 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.73 27.79 8.54 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 115.322 -0.854 . . . . 71.040000000000006 110.652 -178.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 p -88.54 75.93 8.26 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 123.621 0.768 . . . . 70.530000000000001 109.977 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.25 -39.9 92.19 Favored Glycine 0 C--N 1.346 1.124 0 CA-C-N 115.747 -0.66 . . . . 74.099999999999994 112.336 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.34 81.81 0.6 Allowed Glycine 0 C--N 1.349 1.293 0 C-N-CA 122.931 0.301 . . . . 70.109999999999999 112.699 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.7 m -134.79 87.29 31.02 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 123.62 0.768 . . . . 73.230000000000004 109.701 177.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.38 145.99 49.4 Favored 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.183 1.922 . . . . 72.540000000000006 110.664 172.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.6 mt -100.7 54.49 0.87 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.531 0.732 . . . . 73.25 109.177 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.82 86.62 0.69 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.389 -0.823 . . . . 61.200000000000003 110.131 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.4 m -131.52 103.08 6.21 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 124.566 1.147 . . . . 73.319999999999993 109.077 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.7 171.43 31.77 Favored Glycine 0 C--N 1.342 0.863 0 O-C-N 123.488 0.492 . . . . 72.239999999999995 112.113 177.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.3 t -160.49 140.05 10.93 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.927 0.891 . . . . 75.230000000000004 109.063 174.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.0 m -79.65 88.77 5.14 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 121.27 0.557 . . . . 74.349999999999994 110.165 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.42 96.09 10.04 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.269 -0.878 . . . . 71.150000000000006 108.769 177.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -133.47 124.98 27.99 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.374 0.669 . . . . 73.310000000000002 109.229 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.4 p -133.02 106.96 7.96 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.302 1.041 . . . . 71.129999999999995 108.732 176.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -78.49 94.71 4.99 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.371 0.669 . . . . 72.030000000000001 109.667 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.29 88.83 1.1 Allowed Glycine 0 C--N 1.343 0.967 0 CA-C-N 115.546 -0.752 . . . . 74.430000000000007 111.52 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.0 112.79 1.8 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.005 0.922 . . . . 71.030000000000001 110.115 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.2 t -116.36 74.89 0.92 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.509 0.724 . . . . 64.340000000000003 110.571 -168.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -105.47 98.46 8.15 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 108.122 -1.066 . . . . 75.120000000000005 108.122 172.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -61.4 -36.74 81.12 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.11 0.964 . . . . 74.129999999999995 112.28 -174.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -127.21 39.73 3.85 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.292 1.037 . . . . 75.209999999999994 110.06 -178.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.05 -20.57 64.91 Favored Glycine 0 CA--C 1.538 1.498 0 CA-C-N 116.043 -0.526 . . . . 61.329999999999998 112.681 173.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.46 53.01 0.33 Allowed Glycine 0 C--N 1.346 1.1 0 N-CA-C 110.697 -0.961 . . . . 74.329999999999998 110.697 173.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -149.03 90.41 4.74 Favored Pre-proline 0 N--CA 1.481 1.101 0 C-N-CA 123.703 0.801 . . . . 75.099999999999994 109.537 -177.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -83.68 141.31 9.72 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.671 2.247 . . . . 74.209999999999994 112.683 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -65.9 102.38 0.53 Allowed 'Trans proline' 0 C--N 1.382 2.297 0 C-N-CA 123.05 2.5 . . . . 61.420000000000002 111.722 176.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.58 131.15 40.71 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.622 0.769 . . . . 72.409999999999997 111.649 -175.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.0 mt -87.26 158.23 19.14 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.893 0.877 . . . . 73.230000000000004 110.45 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.7 pt -70.18 100.07 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 C-N-CA 123.483 0.713 . . . . 70.340000000000003 111.686 -176.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.5 m -70.07 -16.88 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 CA-C-N 115.665 -0.698 . . . . 75.010000000000005 111.8 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -127.0 65.46 63.99 Favored Pre-proline 0 CA--C 1.556 1.206 0 C-N-CA 124.625 1.17 . . . . 65.420000000000002 109.921 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.46 -30.9 35.35 Favored 'Trans proline' 0 C--N 1.38 2.21 0 C-N-CA 123.348 2.699 . . . . 73.299999999999997 113.928 -166.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.4 mt -99.71 -78.39 0.51 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.406 0.682 . . . . 74.409999999999997 109.19 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 52.0 ttm -162.97 134.68 5.1 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 108.508 -0.923 . . . . 72.310000000000002 108.508 -175.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -163.39 122.49 2.07 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 107.463 -1.31 . . . . 65.430000000000007 107.463 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -69.74 95.4 0.88 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.511 0.724 . . . . 74.109999999999999 110.002 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.4 mt -107.85 139.43 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.704 0.802 . . . . 70.430000000000007 109.637 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.577 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 14.5 t -77.08 97.83 4.83 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 108.155 -1.054 . . . . 63.5 108.155 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -65.17 -24.68 67.45 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 114.631 -1.168 . . . . 75.540000000000006 112.876 -169.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.8 mt -59.72 -43.16 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 122.986 0.514 . . . . 72.329999999999998 111.243 169.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.66 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 25.4 p -106.58 3.99 27.57 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 122.302 -0.248 . . . . 74.409999999999997 111.416 -176.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.3 p30 55.49 9.51 0.39 Allowed 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 126.166 1.787 . . . . 74.239999999999995 113.873 -178.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -135.72 146.19 47.45 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.158 0.983 . . . . 74.310000000000002 108.964 -172.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.53 50.93 1.24 Allowed Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.678 -0.569 . . . . 70.310000000000002 111.678 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -42.83 -76.28 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 125.516 1.526 . . . . 61.509999999999998 112.928 -175.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.4 t -113.18 103.77 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 109.568 -0.53 . . . . 74.200000000000003 109.568 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.39 -24.89 64.83 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.75 0.82 . . . . 72.109999999999999 111.593 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -72.76 -20.77 61.12 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.973 0.909 . . . . 64.340000000000003 111.125 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.1 m -110.1 9.08 24.12 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.938 0.895 . . . . 71.340000000000003 111.037 177.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 48.9 ttm -91.91 115.72 28.3 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 123.113 0.565 . . . . 75.239999999999995 109.637 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 59.1 mt -102.71 153.01 20.55 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 124.453 1.101 . . . . 72.010000000000005 110.213 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.27 116.26 22.36 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 105.99 -1.855 . . . . 74.340000000000003 105.99 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.559 ' SG ' ' HB2' ' A' ' 59' ' ' CYS . 44.4 t -58.0 113.64 1.98 Allowed 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.634 0.584 . . . . 72.140000000000001 111.575 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.661 ' HB2' ' HB3' ' A' ' 79' ' ' GLU . 29.5 t70 -51.35 -48.79 62.34 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.84 1.256 . . . . 72.310000000000002 110.962 173.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.456 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -96.95 55.06 1.34 Allowed Glycine 0 C--N 1.347 1.142 0 O-C-N 123.948 0.78 . . . . 71.120000000000005 112.016 175.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.559 ' HB2' ' SG ' ' A' ' 56' ' ' CYS . 33.3 m 177.09 -155.88 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 127.708 2.403 . . . . 65.150000000000006 105.952 170.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -161.28 104.96 1.29 Allowed 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.098 -1.075 . . . . 71.040000000000006 108.098 167.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.406 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 10.4 t70 -175.68 146.25 0.74 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.475 1.11 . . . . 74.329999999999998 108.542 177.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.7 m -92.88 123.91 36.48 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.967 0.507 . . . . 74.209999999999994 110.656 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' A' ' 61' ' ' ASP . 69.9 m-85 -122.88 147.97 45.97 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.461 1.105 . . . . 74.239999999999995 108.551 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.771 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 24.5 m80 -93.05 153.05 18.93 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 108.632 -0.877 . . . . 75.030000000000001 108.632 165.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.426 HG22 HD11 ' A' ' 72' ' ' LEU . 32.6 p -60.65 -39.64 89.06 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.626 1.203 . . . . 74.430000000000007 109.964 169.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -65.06 -38.03 89.5 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.834 1.254 . . . . 73.409999999999997 111.552 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.771 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 79.7 m -70.71 -18.99 62.8 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.658 0.783 . . . . 65.209999999999994 112.99 -174.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 85.3 mt -90.6 143.24 26.93 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.508 0.723 . . . . 75.129999999999995 109.565 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 mp -107.08 118.56 53.64 Favored Pre-proline 0 N--CA 1.49 1.561 0 C-N-CA 123.642 0.777 . . . . 73.409999999999997 109.741 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -80.24 160.41 85.71 Favored 'Cis proline' 0 C--N 1.385 2.467 0 CA-C-N 119.943 1.015 . . . . 74.109999999999999 111.221 -4.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' ' 65' ' ' THR . 76.0 Cg_exo -53.26 137.33 63.84 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 122.383 2.055 . . . . 64.510000000000005 112.055 174.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.426 HD11 HG22 ' A' ' 65' ' ' THR . 69.5 mt -68.82 101.3 1.31 Allowed 'General case' 0 CA--C 1.542 0.67 0 O-C-N 123.53 0.518 . . . . 72.319999999999993 110.11 -173.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.8 m -55.41 -35.73 65.69 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 125.082 1.353 . . . . 74.340000000000003 111.966 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.4 m -109.85 136.38 49.25 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 123.806 0.842 . . . . 71.129999999999995 108.798 173.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.6 mm -78.38 122.55 85.23 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 107.696 -1.224 . . . . 75.540000000000006 107.696 167.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -48.25 110.86 0.37 Allowed 'Trans proline' 0 C--N 1.377 2.033 0 C-N-CA 123.465 2.776 . . . . 74.230000000000004 113.453 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -61.29 -40.2 93.26 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.582 1.153 . . . . 75.420000000000002 110.849 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -96.59 175.99 32.04 Favored Glycine 0 C--N 1.341 0.84 0 N-CA-C 110.658 -0.977 . . . . 50.020000000000003 110.658 170.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.661 ' HB3' ' HB2' ' A' ' 57' ' ' ASP . 22.8 mm-40 -56.13 134.58 52.92 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.605 0.762 . . . . 75.239999999999995 110.868 177.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -89.51 135.7 33.45 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.714 0.806 . . . . 74.549999999999997 109.327 -172.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.0 mt -101.26 132.77 46.62 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 108.432 -0.951 . . . . 72.129999999999995 108.432 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.779 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 17.2 p -62.45 141.09 96.63 Favored Pre-proline 0 CA--C 1.553 1.069 0 CA-C-O 118.751 -0.642 . . . . 64.219999999999999 109.637 172.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.23 -27.87 31.86 Favored 'Trans proline' 0 C--N 1.39 2.711 0 C-N-CA 123.913 3.075 . . . . 70.340000000000003 113.772 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -57.53 -46.91 83.29 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.427 1.091 . . . . 74.310000000000002 110.331 174.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.779 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 63.2 m -81.82 -31.76 31.55 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.918 -1.037 . . . . 74.25 111.869 -176.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.6 t -53.2 -37.68 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 123.519 0.728 . . . . 74.319999999999993 111.518 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.9 t -84.46 75.8 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 CA-C-O 121.94 0.876 . . . . 73.420000000000002 109.231 174.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -118.02 168.95 10.07 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 114.786 -1.097 . . . . 74.200000000000003 110.764 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -147.88 168.16 22.93 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 107.554 -1.276 . . . . 71.349999999999994 107.554 171.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 52.0 t -47.03 -46.79 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 C-N-CA 123.787 0.835 . . . . 74.109999999999999 111.471 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.2 m -78.73 95.49 5.33 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.475 -0.784 . . . . 72.019999999999996 110.713 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -79.69 160.35 69.67 Favored Pre-proline 0 N--CA 1.484 1.237 0 N-CA-C 108.86 -0.792 . . . . 72.420000000000002 108.86 166.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.56 45.48 1.26 Allowed 'Trans proline' 0 CA--C 1.569 2.231 0 C-N-CA 122.672 2.248 . . . . 72.329999999999998 113.268 172.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 . . . . . 0 C--O 1.246 0.909 0 N-CA-C 107.123 -1.436 . . . . 73.209999999999994 107.123 175.532 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.66 'ZN ' ' SG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . 0.624 'ZN ' ' SG ' ' A' ' 85' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.472 0.669 0 N-CA-C 109.214 -0.662 . . . . 75.400000000000006 109.214 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 68.4 m80 56.61 33.18 22.31 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.299 1.04 . . . . 62.219999999999999 112.653 167.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.5 ttt -103.82 34.62 2.93 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 108.86 -0.793 . . . . 72.530000000000001 108.86 176.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.4 p -68.25 -54.06 20.26 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 108.489 -0.93 . . . . 74.329999999999998 108.489 171.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.57 -58.14 5.03 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-N 115.38 -0.827 . . . . 60.049999999999997 112.73 173.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.8 -70.79 2.66 Favored Glycine 0 C--N 1.344 1.016 0 N-CA-C 109.939 -1.264 . . . . 74.409999999999997 109.939 -170.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.2 t -87.14 138.07 32.68 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 124.392 1.077 . . . . 60.240000000000002 108.432 168.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -65.35 84.63 0.2 Allowed 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 121.988 1.792 . . . . 45.450000000000003 111.27 172.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.8 mt -82.4 88.4 6.58 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 115.411 -0.813 . . . . 64.140000000000001 110.279 -176.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.58 26.22 2.39 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.962 0.905 . . . . 74.430000000000007 110.508 175.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.8 p -69.64 91.84 0.62 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.867 0.867 . . . . 71.420000000000002 110.625 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.65 107.44 0.2 Allowed Glycine 0 C--N 1.339 0.732 0 N-CA-C 111.579 -0.609 . . . . 54.509999999999998 111.579 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 t -145.47 89.04 1.89 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.143 0.973 . . . . 72.540000000000006 109.604 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.6 p -82.25 75.45 9.17 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.324 -0.853 . . . . 74.340000000000003 109.247 172.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.7 97.09 0.6 Allowed 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.691 -0.686 . . . . 72.049999999999997 109.591 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -76.22 176.89 7.66 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 115.582 -0.735 . . . . 74.230000000000004 110.706 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.6 p -67.93 93.17 0.4 Allowed 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.827 -0.624 . . . . 74.120000000000005 110.63 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.67 164.57 11.78 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.412 -0.813 . . . . 75.329999999999998 111.205 178.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.81 22.85 71.0 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.654 -0.578 . . . . 74.239999999999995 111.654 -169.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.19 137.24 41.16 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 123.684 0.794 . . . . 74.5 109.137 173.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.8 m -54.04 111.73 0.82 Allowed 'General case' 0 CA--C 1.547 0.836 0 O-C-N 124.146 0.904 . . . . 74.450000000000003 112.887 -170.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -102.32 29.02 5.43 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.948 1.299 . . . . 64.310000000000002 109.852 173.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -71.95 87.64 1.03 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.872 0.869 . . . . 74.430000000000007 109.983 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.436 ' HE3' HG22 ' A' ' 90' ' ' VAL . 53.3 pttt -146.97 39.28 1.02 Allowed 'General case' 0 C--O 1.243 0.761 0 CA-C-N 114.588 -1.187 . . . . 74.340000000000003 109.29 176.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.11 68.44 1.69 Allowed Glycine 0 C--N 1.353 1.524 0 N-CA-C 109.761 -1.336 . . . . 54.299999999999997 109.761 167.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.4 149.24 5.36 Favored Glycine 0 C--N 1.341 0.833 0 N-CA-C 110.329 -1.108 . . . . 63.109999999999999 110.329 -168.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 55.01 68.48 2.54 Favored Pre-proline 0 CA--C 1.557 1.234 0 C-N-CA 124.219 1.008 . . . . 73.25 110.893 -173.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.22 129.45 34.3 Favored 'Trans proline' 0 C--N 1.377 2.072 0 C-N-CA 122.806 2.337 . . . . 75.239999999999995 111.421 175.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -41.1 -74.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.391 2.773 0 C-N-CA 124.346 3.364 . . . . 73.519999999999996 114.263 -173.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -176.59 124.67 0.17 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.875 0.87 . . . . 73.230000000000004 110.82 172.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -78.18 144.99 35.87 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 108.337 -0.986 . . . . 74.010000000000005 108.337 168.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.8 mt 61.6 76.45 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 C-N-CA 124.517 1.127 . . . . 75.439999999999998 109.229 -175.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.4 p -69.59 171.61 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 CA-C-N 114.729 -1.123 . . . . 75.349999999999994 108.992 172.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.39 112.62 6.24 Favored Pre-proline 0 CA--C 1.561 1.383 0 CA-C-N 118.214 0.461 . . . . 74.030000000000001 110.107 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -84.59 -9.23 9.19 Favored 'Trans proline' 0 C--N 1.382 2.309 0 C-N-CA 122.783 2.322 . . . . 70.349999999999994 112.77 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 77.7 mt -88.47 -11.45 45.86 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.591 0.756 . . . . 71.230000000000004 110.524 -176.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 45.3 ttp 63.31 41.95 7.33 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 124.664 1.186 . . . . 73.010000000000005 109.453 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 121.11 18.01 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 107.926 -1.139 . . . . 74.099999999999994 107.926 173.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.547 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 31.5 m-85 -71.55 85.95 0.87 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.867 0.841 . . . . 71.010000000000005 110.274 -173.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.8 mt -111.68 122.79 66.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 C-N-CA 125.675 1.59 . . . . 73.299999999999997 108.592 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.526 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 52.9 t -65.55 110.91 2.89 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.463 -0.939 . . . . 72.140000000000001 108.463 174.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -65.27 -9.97 28.46 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.492 1.517 . . . . 73.209999999999994 112.75 -170.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.4 mt -102.36 -27.88 3.22 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 124.044 0.938 . . . . 75.530000000000001 110.108 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.656 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 68.5 m -89.24 -20.33 24.28 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.266 0.626 . . . . 75.329999999999998 111.848 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.1 t30 74.55 -8.68 1.45 Allowed 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 125.397 1.479 . . . . 74.319999999999993 111.934 -174.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.18 159.13 42.82 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.002 0.921 . . . . 74.519999999999996 110.201 172.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.78 50.45 0.77 Allowed Glycine 0 C--N 1.338 0.694 0 CA-C-N 115.976 -0.556 . . . . 74.510000000000005 111.968 176.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -59.04 -34.97 72.53 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.388 1.075 . . . . 74.340000000000003 112.131 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.505 HG12 ' H ' ' A' ' 52' ' ' SER . 54.7 t -116.48 94.51 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.115 0.566 . . . . 74.340000000000003 109.748 172.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.08 -24.41 62.31 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.639 0.376 . . . . 75.019999999999996 110.867 173.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.74 -37.63 88.09 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.387 1.075 . . . . 74.040000000000006 113.024 -174.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.505 ' H ' HG12 ' A' ' 49' ' ' VAL . 17.7 m -100.58 14.79 30.22 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.179 0.592 . . . . 74.310000000000002 110.76 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.571 ' SD ' ' HB3' ' A' ' 62' ' ' SER . 44.8 ttm -95.71 122.25 38.28 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 123.295 0.638 . . . . 73.120000000000005 110.777 -175.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.8 mt -89.61 148.22 23.47 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 125.282 1.433 . . . . 74.430000000000007 109.273 174.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -115.86 129.41 56.41 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.202 0.601 . . . . 73.230000000000004 109.526 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 42.3 t -72.38 86.84 1.14 Allowed 'General case' 0 C--N 1.351 0.659 0 N-CA-C 108.903 -0.777 . . . . 75.519999999999996 108.903 173.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.9 85.17 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 125.3 1.44 . . . . 70.400000000000006 111.52 -175.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 153.75 -29.25 0.75 Allowed Glycine 0 C--N 1.346 1.116 0 CA-C-N 115.867 -0.606 . . . . 72.530000000000001 112.89 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.2 p -128.24 -8.47 5.31 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.679 0.792 . . . . 74.329999999999998 111.454 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 61.15 76.4 0.37 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.437 1.495 . . . . 72.239999999999995 112.003 175.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -121.54 119.99 33.55 Favored 'General case' 0 C--O 1.245 0.851 0 N-CA-C 108.102 -1.073 . . . . 73.099999999999994 108.102 174.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.571 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 30.5 m -93.91 123.49 37.3 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.188 0.595 . . . . 74.530000000000001 110.058 -177.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -140.01 161.68 37.03 Favored 'General case' 0 C--O 1.208 -1.088 0 C-N-CA 124.689 1.196 . . . . 72.150000000000006 109.795 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.656 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 38.0 m80 -97.55 156.05 16.68 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 109.315 -0.624 . . . . 74.340000000000003 109.315 169.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.6 p -54.18 -48.27 71.12 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.946 0.898 . . . . 74.209999999999994 111.153 173.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -78.22 -17.91 56.11 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 115.174 -0.921 . . . . 74.310000000000002 112.682 -176.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.656 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 88.0 m -75.91 -32.6 59.7 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.045 0.538 . . . . 74.319999999999993 111.908 178.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.1 mt -71.26 150.98 44.7 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.937 0.895 . . . . 74.349999999999994 112.661 -174.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.7 mp -118.0 112.65 38.09 Favored Pre-proline 0 CA--C 1.555 1.16 0 N-CA-C 107.768 -1.197 . . . . 75.140000000000001 107.768 167.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -75.98 144.28 79.28 Favored 'Cis proline' 0 C--N 1.383 2.392 0 CA-C-N 120.395 1.177 . . . . 64.140000000000001 112.773 -0.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.54 138.81 51.3 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.374 2.05 . . . . 73.230000000000004 111.462 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.0 mt -91.5 131.1 37.17 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.974 -0.557 . . . . 74.400000000000006 109.613 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.9 t -74.97 -14.75 60.66 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.51 0.724 . . . . 73.430000000000007 111.223 -177.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.7 p -150.78 160.67 43.71 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.332 1.053 . . . . 74.019999999999996 110.381 -174.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 76.0 mt -81.75 117.28 67.67 Favored Pre-proline 0 CA--C 1.552 1.053 0 C-N-CA 123.979 0.912 . . . . 73.230000000000004 109.077 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -81.04 58.86 7.21 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 123.065 2.51 . . . . 52.140000000000001 111.814 177.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.4 tttp 73.03 -28.77 0.19 Allowed 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 125.89 1.676 . . . . 74.25 113.793 178.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.51 -30.42 9.54 Favored Glycine 0 C--N 1.343 0.936 0 N-CA-C 111.301 -0.719 . . . . 73.239999999999995 111.301 -169.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -74.83 89.05 2.31 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 107.532 -1.284 . . . . 61.009999999999998 107.532 170.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -145.85 154.96 42.56 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 114.832 -1.076 . . . . 73.329999999999998 109.755 -168.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 98.3 mt -119.96 130.16 54.65 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.532 0.733 . . . . 74.030000000000001 109.414 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 14.4 p -67.47 143.1 96.89 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 123.804 0.842 . . . . 43.520000000000003 111.018 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.52 -30.33 53.79 Favored 'Trans proline' 0 C--N 1.385 2.486 0 C-N-CA 123.327 2.684 . . . . 64.129999999999995 113.151 -178.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -68.4 -34.08 75.39 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 115.841 -0.618 . . . . 74.530000000000001 111.436 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.3 m -85.76 -23.87 27.1 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 122.568 0.347 . . . . 73.120000000000005 111.846 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.0 t -69.55 -44.55 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 122.567 0.347 . . . . 74.019999999999996 110.234 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.3 t -76.91 -21.41 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 116.108 -0.496 . . . . 73.510000000000005 109.848 171.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 71.66 124.17 0.03 OUTLIER 'General case' 0 C--N 1.352 0.71 0 C-N-CA 126.828 2.051 . . . . 73.340000000000003 111.097 -175.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -60.78 126.69 28.32 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 123.536 0.734 . . . . 71.450000000000003 109.617 173.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.436 HG22 ' HE3' ' A' ' 24' ' ' LYS . 35.5 m -55.82 121.1 3.36 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 O-C-N 124.168 0.917 . . . . 74.430000000000007 110.052 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 67.8 p -83.78 46.43 1.17 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.965 0.906 . . . . 74.200000000000003 111.744 -168.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.8 tptt 59.84 95.85 0.05 OUTLIER Pre-proline 0 CA--C 1.556 1.2 0 C-N-CA 124.797 1.239 . . . . 74.129999999999995 110.667 -172.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.36 150.25 70.43 Favored 'Trans proline' 0 C--N 1.378 2.1 0 C-N-CA 122.364 2.042 . . . . 74.040000000000006 111.67 174.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.118 0 N-CA-C 108.405 -0.961 . . . . 73.519999999999996 108.405 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.656 'ZN ' ' SG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.6 m . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 110.387 -0.227 . . . . 75.030000000000001 110.387 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -68.84 110.15 4.23 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 109.343 -0.614 . . . . 75.239999999999995 109.343 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.0 tpt -109.14 116.62 32.27 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 108.777 -0.824 . . . . 74.200000000000003 108.777 176.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.6 m -78.18 79.1 4.65 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.287 -0.635 . . . . 72.5 109.287 173.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -112.74 132.96 11.04 Favored Glycine 0 C--N 1.338 0.683 0 N-CA-C 111.098 -0.801 . . . . 74.430000000000007 111.098 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.37 151.89 23.83 Favored Glycine 0 C--N 1.344 0.973 0 O-C-N 123.694 0.291 . . . . 63.399999999999999 112.943 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.2 m -123.84 85.99 53.55 Favored Pre-proline 0 CA--C 1.546 0.804 0 N-CA-C 107.825 -1.176 . . . . 75.430000000000007 107.825 172.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -62.88 124.94 14.92 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 123.118 2.545 . . . . 73.310000000000002 112.042 -176.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 mp -79.2 70.31 5.56 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 123.835 0.854 . . . . 64.230000000000004 108.953 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.7 94.95 0.47 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.334 0.653 . . . . 63.409999999999997 109.753 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 t -114.11 151.06 33.16 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 123.507 0.723 . . . . 71.329999999999998 111.766 -169.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.54 54.16 0.38 Allowed Glycine 0 C--N 1.336 0.56 0 CA-C-N 114.596 -1.183 . . . . 70.010000000000005 110.487 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.4 p -73.99 83.83 1.75 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.545 0.738 . . . . 73.129999999999995 111.434 -175.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.3 p -122.39 120.85 35.2 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.39 1.076 . . . . 74.010000000000005 108.112 176.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.18 23.86 3.83 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.714 0.806 . . . . 74.239999999999995 110.618 -177.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -67.02 129.72 40.79 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.651 0.78 . . . . 73.0 110.627 -173.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.5 p -92.61 109.43 20.85 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.0 0.92 . . . . 74.099999999999994 109.479 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -96.12 -9.1 31.54 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.602 0.761 . . . . 74.540000000000006 111.598 -174.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.64 57.75 5.04 Favored Glycine 0 C--N 1.352 1.426 0 CA-C-N 116.748 -0.205 . . . . 71.420000000000002 113.16 -174.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.18 79.02 9.51 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 108.841 -0.799 . . . . 73.010000000000005 108.841 175.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.3 m -144.46 96.73 2.92 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.026 -0.988 . . . . 65.219999999999999 109.396 -176.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -138.74 118.73 13.36 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.133 0.573 . . . . 75.340000000000003 109.742 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -121.49 139.53 53.37 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 109.168 -0.679 . . . . 74.420000000000002 109.168 176.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -137.38 132.32 33.35 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 109.031 -0.729 . . . . 72.120000000000005 109.031 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.69 -116.8 0.85 Allowed Glycine 0 C--N 1.338 0.657 0 N-CA-C 109.979 -1.248 . . . . 61.210000000000001 109.979 -175.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.9 67.03 1.9 Allowed Glycine 0 C--N 1.341 0.823 0 CA-C-N 116.86 0.33 . . . . 72.129999999999995 112.492 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -65.29 112.63 8.81 Favored Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 123.896 0.878 . . . . 75.319999999999993 109.762 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -70.89 143.13 44.58 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.515 2.144 . . . . 72.129999999999995 111.894 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.18 112.68 2.6 Favored 'Trans proline' 0 C--N 1.371 1.76 0 C-N-CA 122.56 2.173 . . . . 62.049999999999997 111.622 178.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.2 -14.89 62.41 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.096 0.959 . . . . 64.430000000000007 112.418 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.1 tt -71.95 120.81 18.07 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.317 -0.623 . . . . 75.120000000000005 109.317 177.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.2 pt -119.05 139.9 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.267 1.027 . . . . 64.120000000000005 109.034 177.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.4 m -77.8 -25.98 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 123.479 0.712 . . . . 74.340000000000003 111.81 -175.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -140.29 113.01 7.35 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 123.58 0.752 . . . . 62.130000000000003 109.656 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -88.1 -10.27 4.97 Favored 'Trans proline' 0 C--N 1.37 1.681 0 C-N-CA 122.963 2.442 . . . . 71.230000000000004 113.847 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.47 -93.21 0.05 Allowed 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 118.492 0.587 . . . . 72.209999999999994 112.238 -173.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 48.7 tpp -140.95 87.29 2.09 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 108.753 -0.832 . . . . 73.530000000000001 108.753 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -113.1 113.62 25.67 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 106.198 -1.778 . . . . 72.420000000000002 106.198 170.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -59.55 99.53 0.06 Allowed 'General case' 0 CA--C 1.547 0.839 0 O-C-N 123.688 0.618 . . . . 74.439999999999998 110.003 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.1 mt -72.42 116.94 15.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.687 0 C-N-CA 123.48 0.712 . . . . 75.540000000000006 110.579 -175.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 48.7 t -64.84 121.5 14.75 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 108.586 -0.894 . . . . 74.439999999999998 108.586 176.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -67.93 -4.07 11.84 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 112.612 0.597 . . . . 75.010000000000005 112.612 -174.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.6 mt -112.89 -49.37 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 123.698 0.799 . . . . 71.120000000000005 111.344 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.646 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 26.5 p -107.35 -3.95 19.11 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.869 -0.519 . . . . 74.209999999999994 112.313 -170.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 75.6 -56.5 0.6 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 126.243 1.817 . . . . 73.230000000000004 113.093 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.83 135.11 57.45 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.296 0.639 . . . . 75.530000000000001 112.003 -175.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.38 30.25 7.41 Favored Glycine 0 N--CA 1.475 1.276 0 N-CA-C 110.907 -0.877 . . . . 71.299999999999997 110.907 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -88.81 -25.37 22.25 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.177 0.991 . . . . 74.319999999999993 110.758 -173.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.2 t -84.36 63.39 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 N-CA-C 107.629 -1.248 . . . . 74.109999999999999 107.629 168.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.67 ' HA ' ' HB2' ' A' ' 53' ' ' MET . 11.5 pt-20 -73.41 -20.21 60.79 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.519 -1.219 . . . . 73.439999999999998 111.237 -175.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -57.87 -35.07 70.45 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 124.405 1.082 . . . . 73.25 111.151 170.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.8 t -106.02 8.66 32.47 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.799 0.839 . . . . 71.040000000000006 111.795 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.67 ' HB2' ' HA ' ' A' ' 50' ' ' GLU . 4.2 tpt -67.83 102.55 1.26 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.985 0.514 . . . . 65.420000000000002 110.324 -175.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.2 mt -92.26 122.39 34.69 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.332 1.053 . . . . 73.519999999999996 108.994 176.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -111.59 116.08 30.23 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 108.269 -1.011 . . . . 74.519999999999996 108.269 -177.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.9 t -72.53 83.46 1.11 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.537 -0.912 . . . . 65.430000000000007 108.537 174.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -63.02 99.52 0.17 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.503 -0.771 . . . . 74.109999999999999 110.659 -178.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.87 -31.54 0.99 Allowed Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.412 -1.075 . . . . 72.329999999999998 110.412 -174.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.2 p -147.04 10.64 1.02 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.899 0.88 . . . . 74.120000000000005 112.367 -177.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 60.84 14.49 5.21 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 114.794 1.405 . . . . 64.409999999999997 114.794 171.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.421 ' HB3' ' HE2' ' A' ' 63' ' ' TYR . 51.6 m-20 -66.56 99.35 0.57 Allowed 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.179 0.445 . . . . 72.420000000000002 110.445 -176.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 m -83.54 126.99 33.37 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.566 -0.743 . . . . 74.450000000000003 109.497 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.421 ' HE2' ' HB3' ' A' ' 61' ' ' ASP . 89.6 m-85 -143.16 175.46 9.86 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.442 1.097 . . . . 73.099999999999994 108.717 177.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.67 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 45.3 m80 -113.22 166.02 11.85 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.104 -0.702 . . . . 74.349999999999994 109.104 165.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.492 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 50.3 p -57.4 -46.66 83.22 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 123.907 0.754 . . . . 72.150000000000006 111.027 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -81.42 -4.24 55.22 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.654 1.182 . . . . 75.219999999999999 113.194 -176.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.67 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 99.4 m -78.93 -50.52 11.04 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 118.423 0.556 . . . . 73.230000000000004 112.384 -175.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.1 mp -70.93 174.45 6.15 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 113.088 0.773 . . . . 75.25 113.088 -173.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.6 tp -127.92 112.08 20.32 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 124.635 1.174 . . . . 75.230000000000004 107.956 171.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -73.73 135.51 40.39 Favored 'Cis proline' 0 C--N 1.379 2.16 0 CA-C-N 120.581 1.243 . . . . 72.409999999999997 113.358 4.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.77 122.13 8.56 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 122.622 2.215 . . . . 73.200000000000003 111.185 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.492 ' O ' ' HB ' ' A' ' 65' ' ' THR . 62.8 mt -70.99 88.43 0.76 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.378 1.071 . . . . 74.409999999999997 111.075 -176.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.1 p -70.09 -37.5 75.44 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 109.12 -0.696 . . . . 73.239999999999995 109.12 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.8 p -83.8 127.71 34.01 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.383 -0.826 . . . . 75.409999999999997 109.09 168.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.1 mm -58.77 130.23 85.57 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 124.437 1.095 . . . . 75.409999999999997 111.471 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -66.08 -179.9 1.61 Allowed 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 122.732 2.288 . . . . 72.120000000000005 112.68 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -83.08 35.9 0.5 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.03 0.932 . . . . 75.310000000000002 112.961 -170.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.98 -77.16 0.83 Allowed Glycine 0 C--N 1.35 1.332 0 N-CA-C 111.467 -0.653 . . . . 72.230000000000004 111.467 -173.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -68.16 99.69 0.93 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.072 0.949 . . . . 75.140000000000001 108.767 173.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -120.56 137.66 54.28 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.057 1.343 . . . . 74.209999999999994 109.123 -175.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.0 mt -122.12 146.19 47.45 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.719 0.808 . . . . 63.130000000000003 108.914 168.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.5 p -63.08 140.87 97.71 Favored Pre-proline 0 CA--C 1.55 0.974 0 CA-C-O 118.517 -0.754 . . . . 72.25 109.736 173.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -43.88 -34.72 6.34 Favored 'Trans proline' 0 C--N 1.382 2.294 0 C-N-CA 124.286 3.324 . . . . 73.5 115.511 -173.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -70.04 -39.61 75.63 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.703 0.801 . . . . 74.230000000000004 110.714 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 58.8 m -83.06 -20.11 35.58 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.445 0.698 . . . . 75.040000000000006 112.17 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.13 -44.56 95.41 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 N-CA-C 109.494 -0.558 . . . . 63.140000000000001 109.494 168.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.3 t -86.15 66.7 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 CA-C-O 122.598 1.189 . . . . 64.120000000000005 108.125 170.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -67.08 -42.36 84.79 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 114.043 -1.435 . . . . 71.420000000000002 112.036 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 59.38 -71.22 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.264 1.425 . . . . 75.310000000000002 112.157 -171.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 53.7 t 57.96 82.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.969 0 C-N-CA 124.652 1.181 . . . . 75.030000000000001 110.492 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.0 t -149.32 93.57 2.09 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.654 -1.239 . . . . 73.120000000000005 107.654 -176.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -148.46 143.11 16.99 Favored Pre-proline 0 C--O 1.244 0.776 0 CA-C-N 115.181 -0.918 . . . . 73.450000000000003 109.687 -169.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.15 112.15 1.21 Allowed 'Trans proline' 0 C--N 1.375 1.95 0 C-N-CA 122.278 1.986 . . . . 75.420000000000002 109.709 164.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 . . . . . 0 C--O 1.248 0.978 0 C-N-CA 123.645 0.778 . . . . 70.209999999999994 111.526 -171.181 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.646 'ZN ' ' SG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.7 t . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 109.838 -0.43 . . . . 72.129999999999995 109.838 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -64.51 -32.8 74.6 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.315 1.046 . . . . 71.430000000000007 111.581 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 52.2 ttm -88.99 126.03 35.24 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.724 0.81 . . . . 74.420000000000002 110.298 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.0 m -139.68 67.44 1.38 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.676 0.79 . . . . 71.319999999999993 109.361 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -103.05 99.35 1.78 Allowed Glycine 0 C--N 1.343 0.966 0 CA-C-N 115.705 -0.68 . . . . 24.52 112.012 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 153.03 19.24 0.05 OUTLIER Glycine 0 C--N 1.344 0.974 0 C-N-CA 123.067 0.365 . . . . 53.530000000000001 113.028 175.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.3 p -82.01 156.35 69.67 Favored Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 123.639 0.776 . . . . 61.509999999999998 110.615 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -87.62 19.53 1.34 Allowed 'Trans proline' 0 C--N 1.372 1.782 0 C-N-CA 122.759 2.306 . . . . 71.230000000000004 113.096 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.94 -40.77 98.66 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.94 0.896 . . . . 70.329999999999998 111.041 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.46 96.51 4.72 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 115.514 -0.766 . . . . 74.120000000000005 109.194 174.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 t -74.96 146.04 42.07 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 109.644 -0.502 . . . . 75.329999999999998 109.644 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.09 -169.98 21.45 Favored Glycine 0 C--N 1.344 1.018 0 CA-C-N 116.182 -0.463 . . . . 65.219999999999999 112.361 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.4 m -66.03 86.73 0.1 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.311 0.644 . . . . 70.430000000000007 111.038 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.4 m -144.8 78.74 1.58 Allowed 'General case' 0 C--O 1.238 0.459 0 N-CA-C 107.686 -1.227 . . . . 73.010000000000005 107.686 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.48 122.06 19.75 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.997 -1.002 . . . . 64.129999999999995 110.307 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -110.2 104.49 13.33 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.509 -0.923 . . . . 72.140000000000001 108.509 171.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.6 m -72.92 83.12 1.22 Allowed 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 108.931 -0.766 . . . . 73.109999999999999 108.931 175.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 -141.9 66.97 1.33 Allowed 'General case' 0 C--O 1.241 0.655 0 CA-C-O 122.228 1.014 . . . . 75.420000000000002 108.545 -176.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.53 147.73 18.71 Favored Glycine 0 C--O 1.242 0.652 0 CA-C-N 114.243 -1.344 . . . . 70.030000000000001 110.328 170.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.99 92.79 0.39 Allowed 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 109.419 -0.586 . . . . 70.519999999999996 109.419 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.2 m -86.01 57.82 4.7 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.399 1.079 . . . . 64.109999999999999 112.048 -170.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -161.76 99.92 1.13 Allowed 'General case' 0 C--O 1.238 0.499 0 N-CA-C 105.98 -1.859 . . . . 75.340000000000003 105.98 175.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' HA ' ' HB3' ' A' ' 83' ' ' PRO . 37.3 mtmm -92.22 65.6 4.68 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.577 0.703 . . . . 52.210000000000001 112.119 -169.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -77.91 -9.01 58.86 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.422 -0.808 . . . . 73.340000000000003 110.318 164.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.36 33.04 5.52 Favored Glycine 0 C--N 1.35 1.317 0 N-CA-C 110.638 -0.985 . . . . 73.310000000000002 110.638 165.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.03 -16.53 80.67 Favored Glycine 0 C--N 1.36 1.907 0 C-N-CA 123.537 0.589 . . . . 63.219999999999999 112.636 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 13.6 mt-10 -63.62 120.71 65.25 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 124.23 1.012 . . . . 73.329999999999998 109.689 173.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 27' ' ' GLU . 16.7 Cg_exo -67.44 -175.14 0.63 Allowed 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 123.828 3.019 . . . . 74.219999999999999 112.103 -178.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -72.3 53.54 2.14 Favored 'Trans proline' 0 C--N 1.388 2.617 0 C-N-CA 122.365 2.043 . . . . 74.319999999999993 113.631 174.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.95 -50.13 72.01 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 108.621 -0.881 . . . . 63.299999999999997 108.621 172.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.408 HD23 ' HE2' ' A' ' 42' ' ' HIS . 6.9 mp -80.97 88.51 5.92 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 106.384 -1.71 . . . . 74.140000000000001 106.384 165.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.6 pt -57.16 109.96 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 C-N-CA 124.014 0.926 . . . . 73.030000000000001 110.645 -177.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.9 p -117.72 142.17 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.918 0.887 . . . . 75.340000000000003 110.746 -171.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -146.17 78.5 11.3 Favored Pre-proline 0 CA--C 1.551 1.016 0 C-N-CA 124.673 1.189 . . . . 55.340000000000003 108.263 175.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -86.0 32.22 0.46 Allowed 'Trans proline' 0 C--N 1.376 2.025 0 C-N-CA 123.331 2.687 . . . . 74.310000000000002 113.786 -169.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.538 ' H ' HD21 ' A' ' 36' ' ' LEU . 1.9 pt? -83.42 4.85 25.82 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.72 0.408 . . . . 71.099999999999994 111.575 178.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 25.5 mmt -79.08 -66.89 0.81 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 107.955 -1.128 . . . . 74.010000000000005 107.955 164.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -140.37 131.66 26.66 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.229 1.411 . . . . 75.420000000000002 107.76 172.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -71.89 127.24 31.95 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.422 0.629 . . . . 74.420000000000002 111.208 -174.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.7 mt -114.99 133.66 60.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 C-N-CA 125.015 1.326 . . . . 63.340000000000003 109.728 -172.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 62' ' ' SER . 53.1 t -80.47 112.29 17.67 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 108.06 -1.089 . . . . 65.140000000000001 108.06 168.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.408 ' HE2' HD23 ' A' ' 31' ' ' LEU . 27.0 t-80 -54.85 -42.32 71.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 124.19 0.931 . . . . 70.209999999999994 111.747 -174.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 58.3 mt -60.01 -45.85 94.91 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 C-N-CA 124.443 1.097 . . . . 75.040000000000006 111.278 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.669 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 29.3 m -80.88 -18.03 48.65 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.056 0.942 . . . . 75.049999999999997 111.574 -177.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 64.17 16.02 9.74 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.291 1.437 . . . . 73.310000000000002 112.049 -175.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.428 ' HG3' ' HB2' ' A' ' 48' ' ' ASP . 20.0 ptt-85 -162.04 174.62 12.76 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.003 0.921 . . . . 72.420000000000002 110.764 -177.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.21 -42.83 82.48 Favored Glycine 0 C--N 1.348 1.198 0 O-C-N 123.708 0.63 . . . . 70.239999999999995 112.227 175.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.428 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 27.5 t70 62.61 -89.15 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 124.629 1.172 . . . . 74.319999999999993 112.322 172.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.4 t -123.45 92.22 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 107.614 -1.254 . . . . 71.129999999999995 107.614 178.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -61.73 -30.22 70.63 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.45 1.1 . . . . 71.540000000000006 112.032 -172.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -66.85 -37.33 84.25 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.486 0.714 . . . . 74.439999999999998 111.64 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.0 t -78.89 -20.33 49.71 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.047 0.539 . . . . 52.399999999999999 110.415 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.424 ' SD ' ' HB3' ' A' ' 62' ' ' SER . 48.6 ttm -72.97 117.61 14.91 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.005 0.922 . . . . 71.0 110.875 177.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.9 mp -91.16 151.42 20.97 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 107.916 -1.142 . . . . 75.239999999999995 107.916 169.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.6 123.04 44.26 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 107.509 -1.293 . . . . 75.230000000000004 107.509 -176.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 35.1 t -67.56 123.68 21.13 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.513 0.725 . . . . 73.510000000000005 111.534 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.76 -29.48 67.88 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.852 1.261 . . . . 75.230000000000004 111.846 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.19 0.62 66.52 Favored Glycine 0 C--N 1.345 1.043 0 CA-C-O 118.985 -0.897 . . . . 73.129999999999995 114.462 -174.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 25.8 p -171.4 -153.82 0.09 Allowed 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 117.627 0.713 . . . . 63.420000000000002 110.658 -175.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -118.19 -6.25 10.87 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.593 0.757 . . . . 75.439999999999998 112.564 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -63.5 139.42 58.77 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 118.815 0.734 . . . . 63.329999999999998 110.314 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.542 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 50.0 m -123.4 138.83 54.51 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.707 0.803 . . . . 73.209999999999994 109.3 -174.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.422 ' HB2' ' CH2' ' A' ' 80' ' ' TRP . 57.6 m-85 -143.34 149.8 38.28 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.81 0.844 . . . . 74.209999999999994 109.357 -178.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.648 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 38.6 m80 -87.78 160.63 17.97 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.213 0.605 . . . . 74.340000000000003 110.559 176.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.507 HG23 ' HB2' ' A' ' 72' ' ' LEU . 42.7 p -58.15 -54.83 42.52 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 123.924 0.765 . . . . 74.329999999999998 111.089 175.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -77.26 -14.34 59.77 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.005 -0.998 . . . . 65.150000000000006 112.514 -174.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.671 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 90.9 m -74.28 -14.47 60.91 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 113.437 0.903 . . . . 73.340000000000003 113.437 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 63.3 mt -108.75 150.46 27.56 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.582 0.753 . . . . 74.510000000000005 110.756 -177.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.2 mt -128.86 117.24 19.34 Favored Pre-proline 0 N--CA 1.479 1.025 0 N-CA-C 107.895 -1.15 . . . . 75.349999999999994 107.895 169.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -70.68 142.3 71.6 Favored 'Cis proline' 0 C--N 1.385 2.472 0 CA-C-N 120.649 1.268 . . . . 72.299999999999997 112.301 -0.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.473 ' HG2' HG22 ' A' ' 73' ' ' THR . 59.7 Cg_endo -68.97 161.13 47.04 Favored 'Trans proline' 0 C--N 1.373 1.855 0 C-N-CA 122.449 2.099 . . . . 75.209999999999994 111.964 -177.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.507 ' HB2' HG23 ' A' ' 65' ' ' THR . 49.8 mt -82.19 71.96 9.25 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.856 -0.794 . . . . 73.040000000000006 108.856 176.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.473 HG22 ' HG2' ' A' ' 71' ' ' PRO . 40.9 p -69.92 -27.82 65.1 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 114.753 -1.112 . . . . 63.420000000000002 110.325 -179.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.2 m -118.07 129.74 55.73 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 108.454 -0.943 . . . . 55.109999999999999 108.454 171.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.4 mm -78.45 121.86 84.27 Favored Pre-proline 0 C--O 1.247 0.928 0 C-N-CA 123.517 0.727 . . . . 75.409999999999997 109.529 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -72.64 99.33 1.04 Allowed 'Trans proline' 0 C--N 1.376 1.983 0 C-N-CA 121.934 1.756 . . . . 71.120000000000005 110.493 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -58.93 105.67 0.34 Allowed 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 114.566 -1.197 . . . . 72.319999999999993 109.825 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.58 20.35 2.92 Favored Glycine 0 N--CA 1.47 0.938 0 N-CA-C 109.876 -1.29 . . . . 73.200000000000003 109.876 -171.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 67.59 176.57 0.25 Allowed 'General case' 0 C--N 1.359 0.997 0 C-N-CA 126.305 1.842 . . . . 62.5 112.846 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.422 ' CH2' ' HB2' ' A' ' 63' ' ' TYR . 55.8 t90 -123.0 144.75 49.05 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.337 0.655 . . . . 75.510000000000005 111.92 -164.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.5 mt -106.53 127.22 53.15 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 124.401 1.08 . . . . 73.439999999999998 109.411 171.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' A' ' 84' ' ' ARG . 32.0 p -67.23 158.34 82.04 Favored Pre-proline 0 N--CA 1.476 0.861 0 CA-C-O 117.939 -1.029 . . . . 63.409999999999997 110.583 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.45 ' HB3' ' HA ' ' A' ' 23' ' ' LYS . 86.2 Cg_exo -46.81 -36.83 20.41 Favored 'Trans proline' 0 C--N 1.382 2.305 0 C-N-CA 122.917 2.411 . . . . 72.239999999999995 113.824 177.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.457 ' HB3' ' SG ' ' A' ' 82' ' ' CYS . 31.8 tpt180 -63.08 -47.13 84.21 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.121 1.368 . . . . 74.120000000000005 111.205 176.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 79.9 m -79.56 -28.04 41.2 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.417 0.687 . . . . 73.319999999999993 112.425 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.405 HG21 ' O ' ' A' ' 82' ' ' CYS . 70.4 t -58.24 -55.85 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.037 0.935 . . . . 74.140000000000001 110.736 173.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.9 t 75.39 -53.45 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 C-N-CA 125.427 1.491 . . . . 73.439999999999998 111.415 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -77.27 -164.48 0.47 Allowed 'General case' 0 C--O 1.245 0.849 0 C-N-CA 124.242 1.017 . . . . 63.420000000000002 111.036 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -171.61 152.35 3.15 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.88 0.872 . . . . 72.409999999999997 109.355 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.55 81.97 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.094 0 N-CA-C 108.152 -1.055 . . . . 62.240000000000002 108.152 168.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 45.8 t -61.06 110.26 1.31 Allowed 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 114.796 -1.093 . . . . 73.120000000000005 109.453 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp 69.3 86.04 0.13 Allowed Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 125.317 1.447 . . . . 74.230000000000004 109.354 -171.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -57.93 170.88 1.84 Allowed 'Trans proline' 0 C--N 1.386 2.529 0 C-N-CA 123.922 3.081 . . . . 74.200000000000003 113.803 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 . . . . . 0 C--O 1.253 1.267 0 C-N-CA 125.026 1.331 . . . . 73.25 110.428 -175.731 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.671 'ZN ' ' SG ' ' A' ' 67' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.208 -0.293 . . . . 74.510000000000005 110.208 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -80.13 158.27 26.41 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 109.129 -0.693 . . . . 74.230000000000004 109.129 174.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.5 ttt -118.94 92.24 3.75 Favored 'General case' 0 C--O 1.244 0.788 0 C-N-CA 123.143 0.577 . . . . 74.450000000000003 109.857 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.2 p -75.6 91.16 2.82 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.965 -0.754 . . . . 74.209999999999994 108.965 174.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.49 69.45 1.75 Allowed Glycine 0 C--N 1.345 1.028 0 CA-C-N 115.768 -0.651 . . . . 61.310000000000002 112.576 -176.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.73 90.58 0.32 Allowed Glycine 0 C--N 1.348 1.2 0 N-CA-C 111.924 -0.47 . . . . 71.230000000000004 111.924 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.1 t -75.13 106.98 3.28 Favored Pre-proline 0 N--CA 1.477 0.902 0 C-N-CA 124.209 1.004 . . . . 73.439999999999998 109.919 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -93.31 90.52 0.15 Allowed 'Trans proline' 0 C--N 1.371 1.729 0 C-N-CA 122.919 2.413 . . . . 74.409999999999997 112.666 -177.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 70.1 mt -83.37 73.53 10.15 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 108.886 -0.783 . . . . 74.040000000000006 108.886 170.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.05 122.94 26.82 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 114.872 -1.058 . . . . 64.25 109.423 -175.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.7 p -66.58 140.69 57.97 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.781 0.832 . . . . 71.420000000000002 108.796 172.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.96 55.44 4.78 Favored Glycine 0 N--CA 1.478 1.457 0 O-C-N 123.271 0.357 . . . . 75.219999999999999 112.35 -177.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.0 m -78.25 84.15 4.47 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.027 0.931 . . . . 71.219999999999999 109.704 -173.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.5 m -140.36 111.84 7.31 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.922 0.889 . . . . 72.239999999999995 109.352 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.1 77.06 1.66 Allowed 'General case' 0 C--O 1.243 0.717 0 N-CA-C 107.93 -1.137 . . . . 62.240000000000002 107.93 174.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -75.79 94.0 3.23 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 114.972 -1.013 . . . . 74.129999999999995 109.62 -175.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.8 t -71.35 132.47 44.9 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.889 -0.596 . . . . 75.340000000000003 109.568 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.79 160.62 36.48 Favored 'General case' 0 C--O 1.244 0.765 0 C-N-CA 123.468 0.707 . . . . 73.540000000000006 109.457 -178.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.72 125.65 2.03 Favored Glycine 0 C--N 1.333 0.409 0 N-CA-C 110.224 -1.15 . . . . 74.430000000000007 110.224 177.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.432 ' HB2' HE22 ' A' ' 22' ' ' GLN . . . -138.24 107.91 6.24 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.53 0.732 . . . . 64.030000000000001 110.163 -175.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.5 m -130.95 70.57 1.46 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.797 -0.816 . . . . 74.219999999999999 108.797 175.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.432 HE22 ' HB2' ' A' ' 20' ' ' ALA . 1.7 mp0 -69.85 85.05 0.49 Allowed 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.215 -0.902 . . . . 74.230000000000004 109.733 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -66.43 -43.61 85.19 Favored 'General case' 0 C--N 1.348 0.515 0 C-N-CA 123.819 0.848 . . . . 75.030000000000001 109.661 173.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt 64.05 -167.54 0.21 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.739 1.216 . . . . 74.129999999999995 111.629 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.36 -146.19 40.36 Favored Glycine 0 C--N 1.348 1.218 0 CA-C-O 119.74 -0.478 . . . . 70.439999999999998 112.313 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.24 25.53 71.16 Favored Glycine 0 C--N 1.349 1.273 0 O-C-N 123.721 0.307 . . . . 74.25 113.128 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -87.03 115.78 63.8 Favored Pre-proline 0 N--CA 1.477 0.877 0 C-N-CA 124.007 0.923 . . . . 74.049999999999997 109.245 -177.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -56.16 114.9 2.11 Favored 'Trans proline' 0 C--N 1.375 1.95 0 C-N-CA 122.833 2.355 . . . . 71.200000000000003 111.569 178.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -69.14 115.36 3.97 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.627 2.218 . . . . 74.310000000000002 111.827 -173.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.89 91.95 1.22 Allowed 'General case' 0 C--N 1.35 0.627 0 C-N-CA 123.038 0.535 . . . . 62.130000000000003 109.66 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.4 mt -82.7 12.77 4.35 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.793 0.837 . . . . 72.310000000000002 111.827 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 42.5 pt -74.06 6.59 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.285 0 C-N-CA 124.636 1.174 . . . . 73.409999999999997 111.943 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.2 m -64.48 -15.81 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.567 1.147 . . . . 75.409999999999997 112.838 176.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -152.94 80.87 5.36 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 122.737 0.415 . . . . 64.239999999999995 111.313 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -94.7 7.78 2.16 Favored 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 122.994 2.463 . . . . 72.209999999999994 112.933 171.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tt -115.9 -32.78 5.32 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 122.944 0.498 . . . . 72.030000000000001 110.397 -174.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 24.0 ttt 83.01 -53.08 0.17 Allowed 'General case' 0 N--CA 1.495 1.825 0 C-N-CA 125.802 1.641 . . . . 74.329999999999998 111.684 -176.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? 63.72 174.88 0.17 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.443 1.097 . . . . 75.409999999999997 111.443 -171.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -89.68 68.21 7.55 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.669 0.747 . . . . 75.120000000000005 110.04 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.5 pp -75.36 163.76 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 114.808 -1.087 . . . . 74.319999999999993 111.034 174.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.584 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 48.6 t -69.9 106.13 3.06 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 107.102 -1.444 . . . . 75.299999999999997 107.102 168.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -65.76 -13.64 59.79 Favored 'General case' 0 CA--C 1.564 1.501 0 O-C-N 124.176 0.922 . . . . 74.439999999999998 112.4 -167.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.6 mt -94.56 -25.94 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 C-N-CA 123.407 0.683 . . . . 75.439999999999998 109.908 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 73.7 m -87.66 -57.27 3.01 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.397 0.679 . . . . 73.239999999999995 111.633 -175.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 80.23 -38.39 0.16 Allowed 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 125.461 1.504 . . . . 75.349999999999994 111.781 -173.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -51.75 -59.56 4.16 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.23 1.012 . . . . 74.239999999999995 111.259 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.59 38.71 10.36 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-N 115.846 -0.615 . . . . 74.120000000000005 113.288 175.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -97.97 168.66 10.15 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.059 0.543 . . . . 72.129999999999995 109.73 169.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.6 t 56.69 61.88 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 124.561 1.144 . . . . 75.299999999999997 110.146 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -28.54 70.12 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 114.104 -1.407 . . . . 65.530000000000001 112.604 -178.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.14 -20.45 63.16 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.188 0.595 . . . . 54.229999999999997 112.168 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.2 m -102.19 13.04 35.75 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.982 0.513 . . . . 74.099999999999994 111.023 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 68.1 mtt -85.24 111.51 19.91 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.78 0.432 . . . . 73.420000000000002 110.312 177.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.5 mp -89.28 134.23 34.14 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 108.505 -0.924 . . . . 75.310000000000002 108.505 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.83 118.3 36.52 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 107.368 -1.345 . . . . 63.130000000000003 107.368 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.657 ' HB3' ' HB2' ' A' ' 59' ' ' CYS . 44.1 t -68.1 117.16 9.57 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 109.425 -0.583 . . . . 71.230000000000004 109.425 175.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -58.98 -24.45 62.72 Favored 'General case' 0 CA--C 1.56 1.363 0 O-C-N 124.671 1.232 . . . . 73.129999999999995 112.195 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -118.38 45.87 1.21 Allowed Glycine 0 C--N 1.35 1.321 0 CA-C-N 115.387 -0.824 . . . . 54.229999999999997 113.647 175.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.657 ' HB2' ' HB3' ' A' ' 56' ' ' CYS . 72.8 m -156.04 -176.02 5.74 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 124.384 1.073 . . . . 65.530000000000001 109.782 171.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -116.52 20.14 14.28 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.868 1.267 . . . . 72.450000000000003 108.359 175.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -121.54 149.43 43.12 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 114.943 -1.026 . . . . 70.409999999999997 110.842 -168.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.9 t -114.11 146.66 39.96 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 107.616 -1.253 . . . . 75.219999999999999 107.616 170.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -142.22 140.9 32.46 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 108.466 -0.939 . . . . 75.530000000000001 108.466 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.731 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 41.9 m80 -76.47 160.59 29.37 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.669 0.606 . . . . 73.0 109.932 174.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 26.1 p -51.93 -48.8 64.07 Favored 'General case' 0 CA--C 1.551 1.01 0 O-C-N 124.558 1.161 . . . . 61.229999999999997 111.552 173.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -81.07 -20.69 41.01 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.618 1.167 . . . . 71.439999999999998 112.993 -174.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 74.5 m -71.19 -14.97 62.44 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 112.561 0.578 . . . . 73.430000000000007 112.561 -178.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.3 mt -113.55 162.31 16.33 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.811 0.844 . . . . 75.340000000000003 110.933 -176.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 pp -121.53 132.69 24.17 Favored Pre-proline 0 CA--C 1.548 0.902 0 N-CA-C 108.847 -0.798 . . . . 72.530000000000001 108.847 173.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -73.29 134.41 35.11 Favored 'Cis proline' 0 C--N 1.376 1.993 0 C-N-CA 124.095 -1.21 . . . . 72.120000000000005 112.013 -3.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -60.78 134.71 55.4 Favored 'Trans proline' 0 C--N 1.384 2.4 0 C-N-CA 122.837 2.358 . . . . 74.230000000000004 111.735 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.472 ' O ' ' HB ' ' A' ' 65' ' ' THR . 64.9 mt -88.89 136.1 33.19 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.208 0.603 . . . . 73.420000000000002 110.188 -173.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.5 p -76.8 -15.86 59.62 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.55 0.74 . . . . 75.319999999999993 112.083 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 63.1 m -156.4 172.39 18.59 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.355 1.062 . . . . 74.310000000000002 109.227 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 79.1 mt -85.46 109.5 22.14 Favored Pre-proline 0 CA--C 1.545 0.766 0 N-CA-C 107.017 -1.475 . . . . 70.129999999999995 107.017 172.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -69.69 99.3 0.73 Allowed 'Trans proline' 0 C--N 1.369 1.622 0 C-N-CA 122.767 2.311 . . . . 64.019999999999996 111.373 -177.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt 73.54 -71.3 0.14 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.088 1.355 . . . . 75.420000000000002 111.651 175.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 154.97 -45.79 0.54 Allowed Glycine 0 C--N 1.343 0.968 0 N-CA-C 110.349 -1.1 . . . . 72.230000000000004 110.349 -175.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.28 79.69 2.38 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.596 0.758 . . . . 71.340000000000003 109.624 172.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -103.95 138.53 40.37 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 108.489 -0.93 . . . . 65.430000000000007 108.489 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.53 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 86.1 mt -112.7 144.53 42.06 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.052 0.941 . . . . 70.409999999999997 109.347 174.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 29.2 p -66.07 157.72 79.52 Favored Pre-proline 0 CA--C 1.55 0.957 0 C-N-CA 123.25 0.62 . . . . 61.219999999999999 110.308 175.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.431 ' O ' HG23 ' A' ' 87' ' ' VAL . 11.6 Cg_endo -53.72 -27.31 42.05 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.742 2.295 . . . . 73.200000000000003 112.744 176.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.6 mtt-85 -71.41 -40.19 70.63 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.036 0.935 . . . . 75.239999999999995 110.367 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.53 ' HB2' ' HB3' ' A' ' 81' ' ' LEU . 94.3 m -66.84 -30.49 70.69 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.099 0.56 . . . . 71.019999999999996 111.811 176.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.82 -38.35 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 C-N-CA 123.548 0.739 . . . . 74.310000000000002 110.543 175.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 83' ' ' PRO . 73.5 t -77.3 -17.7 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 123.043 0.537 . . . . 74.319999999999993 111.69 -178.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.496 ' HG2' ' HA ' ' A' ' 85' ' ' CYS . 62.7 mm-40 -48.47 130.0 16.44 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.751 0.82 . . . . 71.140000000000001 112.5 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -69.13 -57.04 5.92 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 124.055 0.847 . . . . 72.25 108.73 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.9 t -95.46 103.92 15.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.669 0 N-CA-C 109.05 -0.722 . . . . 74.519999999999996 109.05 175.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.6 m -78.83 -46.71 18.1 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.528 0.731 . . . . 72.530000000000001 109.718 174.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -139.9 113.23 7.65 Favored Pre-proline 0 CA--C 1.551 1.004 0 C-N-CA 124.19 0.996 . . . . 72.310000000000002 108.838 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.79 122.99 12.73 Favored 'Trans proline' 0 C--N 1.378 2.131 0 C-N-CA 123.917 3.078 . . . . 73.430000000000007 112.786 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 . . . . . 0 C--O 1.251 1.184 0 C-N-CA 123.986 0.915 . . . . 71.209999999999994 108.601 177.059 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.659 'ZN ' ' SG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 65.9 p . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 110.569 -0.16 . . . . 74.329999999999998 110.569 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -137.08 97.86 3.6 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.525 -0.917 . . . . 71.200000000000003 108.525 176.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -118.73 39.06 3.59 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.023 0.929 . . . . 65.030000000000001 109.813 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.2 t -72.9 -22.05 60.81 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.029 0.931 . . . . 74.329999999999998 111.591 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.36 51.96 4.0 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 116.389 -0.369 . . . . 74.510000000000005 112.461 178.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.85 -23.04 78.55 Favored Glycine 0 C--N 1.352 1.467 0 C-N-CA 122.893 0.282 . . . . 72.129999999999995 112.764 -178.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.7 m -151.06 90.61 4.1 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 124.134 0.974 . . . . 75.420000000000002 108.376 171.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -69.33 116.07 4.34 Favored 'Trans proline' 0 C--N 1.368 1.558 0 C-N-CA 122.269 1.98 . . . . 72.450000000000003 111.796 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 mp -70.74 135.31 48.15 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 108.792 -0.818 . . . . 75.340000000000003 108.792 173.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.49 114.36 5.41 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.169 0.988 . . . . 72.519999999999996 110.338 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 48.9 p -64.61 92.93 0.1 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.181 0.993 . . . . 72.129999999999995 110.864 -176.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.55 -33.74 4.83 Favored Glycine 0 C--N 1.346 1.129 0 CA-C-N 115.416 -0.811 . . . . 71.409999999999997 112.69 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.3 m 68.89 -76.24 0.06 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.242 1.417 . . . . 71.219999999999999 110.856 -176.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -159.67 142.01 13.53 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.169 0.987 . . . . 55.219999999999999 108.694 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.98 83.54 5.87 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 123.127 0.571 . . . . 74.310000000000002 111.061 -175.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -84.67 139.93 31.68 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.543 0.737 . . . . 74.409999999999997 110.008 -178.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.2 p -132.05 163.43 28.47 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.801 0.84 . . . . 61.049999999999997 110.901 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -127.42 115.61 19.2 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 106.88 -1.526 . . . . 74.340000000000003 106.88 167.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.89 82.4 0.32 Allowed Glycine 0 CA--C 1.528 0.862 0 O-C-N 123.534 0.521 . . . . 75.310000000000002 112.637 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.13 72.5 1.0 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.833 0.853 . . . . 73.200000000000003 110.082 -176.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.0 m -82.64 -27.93 31.05 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.524 -0.762 . . . . 63.130000000000003 109.792 173.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 63.64 179.05 0.16 Allowed 'General case' 0 C--N 1.358 0.968 0 C-N-CA 125.423 1.489 . . . . 71.340000000000003 112.229 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.61 -47.11 0.97 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 107.339 -1.356 . . . . 72.120000000000005 107.339 177.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 92.9 mttt 66.91 -175.6 0.19 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.801 1.241 . . . . 73.409999999999997 112.627 176.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -147.57 24.41 1.51 Allowed Glycine 0 C--N 1.342 0.884 0 CA-C-O 119.737 -0.479 . . . . 74.329999999999998 112.799 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.19 58.35 8.98 Favored Glycine 0 C--N 1.349 1.253 0 N-CA-C 112.366 -0.293 . . . . 32.100000000000001 112.366 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.45 100.65 11.04 Favored Pre-proline 0 CA--C 1.556 1.177 0 C-N-CA 124.064 0.946 . . . . 73.010000000000005 109.534 -174.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -89.22 129.16 1.92 Allowed 'Trans proline' 0 C--N 1.382 2.32 0 C-N-CA 123.061 2.507 . . . . 70.400000000000006 113.058 -175.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -77.18 144.19 23.24 Favored 'Trans proline' 0 C--N 1.371 1.724 0 C-N-CA 122.646 2.231 . . . . 73.549999999999997 111.132 174.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.18 87.26 2.61 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.258 0.623 . . . . 70.140000000000001 110.151 -175.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.51 98.66 0.51 Allowed 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 107.791 -1.188 . . . . 75.329999999999998 107.791 171.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.0 mt -79.33 130.8 35.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 123.526 0.73 . . . . 71.040000000000006 109.419 176.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.1 m -104.19 93.33 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.014 0.926 . . . . 60.539999999999999 109.439 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -166.48 110.21 0.69 Allowed Pre-proline 0 N--CA 1.47 0.575 0 C-N-CA 123.963 0.905 . . . . 70.319999999999993 109.264 175.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -95.28 20.08 0.59 Allowed 'Trans proline' 0 C--N 1.366 1.467 0 C-N-CA 123.12 2.547 . . . . 74.219999999999999 111.912 172.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.0 mt 59.56 79.79 0.22 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 124.505 1.122 . . . . 73.239999999999995 110.538 -171.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.65 -57.1 14.5 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 115.544 -0.753 . . . . 75.299999999999997 109.832 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -77.63 131.95 38.02 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.544 -0.753 . . . . 75.129999999999995 109.558 175.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.416 ' HB3' ' HG ' ' A' ' 62' ' ' SER . 33.7 m-85 -70.95 85.88 0.7 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.66 1.184 . . . . 73.540000000000006 108.437 173.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.8 mt -68.32 118.06 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 109.042 -0.725 . . . . 71.299999999999997 109.042 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.473 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 41.5 t -63.65 112.04 2.65 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 108.371 -0.974 . . . . 54.310000000000002 108.371 175.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -53.31 -26.37 18.44 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.114 1.366 . . . . 64.510000000000005 112.909 -169.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.466 ' HB ' ' HB3' ' A' ' 67' ' ' CYS . 55.2 mt -92.82 -38.2 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 C-N-CA 123.509 0.723 . . . . 71.310000000000002 111.769 -174.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.626 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 31.5 p -115.56 0.41 13.3 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 112.697 0.629 . . . . 75.319999999999993 112.697 -170.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 61.18 10.1 2.8 Favored 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 125.575 1.55 . . . . 73.310000000000002 114.048 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -91.69 121.83 33.7 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.92 0.488 . . . . 75.299999999999997 111.653 -177.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.22 10.39 75.04 Favored Glycine 0 N--CA 1.475 1.242 0 N-CA-C 111.546 -0.622 . . . . 63.240000000000002 111.546 171.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -110.28 171.59 7.37 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.761 1.624 . . . . 51.450000000000003 108.13 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.5 t 60.93 43.33 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 CA-C-O 122.941 1.353 . . . . 71.140000000000001 109.176 -172.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.64 -23.27 67.31 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 114.094 -1.412 . . . . 71.239999999999995 111.996 -176.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.1 -37.77 86.33 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.357 0.663 . . . . 71.129999999999995 111.049 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -93.88 4.22 54.25 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.876 0.471 . . . . 72.409999999999997 110.31 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 44.0 ttm -94.93 114.98 26.89 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 123.373 0.669 . . . . 74.230000000000004 109.919 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mp -93.58 136.55 33.74 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 124.729 1.212 . . . . 74.450000000000003 107.981 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -122.35 145.91 47.82 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 107.415 -1.328 . . . . 72.25 107.415 -177.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.04 138.97 34.74 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.099 0.56 . . . . 70.420000000000002 110.88 -174.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -73.04 -27.6 61.85 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 121.209 0.528 . . . . 74.140000000000001 110.233 169.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -130.97 107.22 0.73 Allowed Glycine 0 C--N 1.347 1.169 0 CA-C-O 118.764 -1.02 . . . . 62.100000000000001 110.604 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.473 ' SG ' ' HB3' ' A' ' 84' ' ' ARG . 18.4 p 84.39 104.4 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 C-N-CA 127.682 2.393 . . . . 75.319999999999993 108.735 173.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -73.42 121.35 20.36 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.51 1.124 . . . . 75.340000000000003 111.4 -164.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -155.06 126.67 7.42 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 107.374 -1.343 . . . . 72.319999999999993 107.374 171.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.416 ' HG ' ' HB3' ' A' ' 39' ' ' TYR . 23.9 m -91.99 123.19 35.17 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.359 0.663 . . . . 65.219999999999999 110.052 -178.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -130.25 142.36 50.56 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.614 0.766 . . . . 64.230000000000004 109.187 176.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.702 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 35.1 m80 -88.45 158.24 18.42 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 109.164 -0.68 . . . . 75.439999999999998 109.164 165.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.487 HG21 HG12 ' A' ' 75' ' ' ILE . 26.4 p -55.37 -53.66 53.47 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 124.241 0.963 . . . . 64.349999999999994 110.559 172.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.631 ' HA ' ' HB3' ' A' ' 71' ' ' PRO . 50.4 p90 -73.53 -22.66 60.05 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 114.773 -1.103 . . . . 65.5 112.684 -176.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.702 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 95.0 m -73.27 -31.58 64.16 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.062 0.545 . . . . 75.319999999999993 111.623 177.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.64 149.62 47.9 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.69 0.396 . . . . 73.409999999999997 109.991 175.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.3 mt -125.63 117.0 24.68 Favored Pre-proline 0 N--CA 1.479 1.002 0 N-CA-C 108.7 -0.852 . . . . 74.319999999999993 108.7 175.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -70.19 141.09 65.6 Favored 'Cis proline' 0 C--N 1.382 2.306 0 CA-C-N 120.283 1.137 . . . . 75.030000000000001 113.106 -1.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.631 ' HB3' ' HA ' ' A' ' 66' ' ' PHE . 38.6 Cg_exo -59.7 137.48 77.32 Favored 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 123.45 2.767 . . . . 74.219999999999999 112.956 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.0 mt -81.6 88.26 6.22 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.335 0.654 . . . . 73.549999999999997 109.596 -177.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.3 p -65.08 -41.9 94.61 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 121.899 0.857 . . . . 74.010000000000005 109.035 172.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.5 m -89.09 115.47 26.65 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 114.029 -1.442 . . . . 71.140000000000001 108.261 167.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.487 HG12 HG21 ' A' ' 65' ' ' THR . 28.6 mt -84.46 124.84 73.07 Favored Pre-proline 0 CA--C 1.547 0.846 0 N-CA-C 108.717 -0.845 . . . . 73.329999999999998 108.717 178.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.71 81.15 0.46 Allowed 'Trans proline' 0 C--N 1.369 1.658 0 C-N-CA 122.551 2.167 . . . . 63.329999999999998 111.435 172.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.16 118.58 7.01 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 125.227 1.411 . . . . 75.299999999999997 109.168 177.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 123.68 -77.37 0.36 Allowed Glycine 0 C--O 1.241 0.584 0 O-C-N 123.633 0.583 . . . . 73.5 112.241 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -139.94 136.97 34.38 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.356 0.662 . . . . 73.200000000000003 109.94 -175.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -150.13 144.41 25.68 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 108.063 -1.088 . . . . 72.030000000000001 108.063 173.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.2 mt -119.58 138.1 53.43 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.559 0.744 . . . . 74.400000000000006 109.891 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 23.1 p -64.68 156.91 76.67 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 124.534 1.134 . . . . 63.32 111.861 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -46.85 -31.1 10.39 Favored 'Trans proline' 0 C--N 1.375 1.963 0 C-N-CA 123.752 2.968 . . . . 73.140000000000001 114.626 173.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.473 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 22.5 tpp180 -57.18 -43.46 82.67 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.133 0.973 . . . . 74.340000000000003 111.404 175.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.0 m -69.18 -36.35 77.24 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.154 0.581 . . . . 72.329999999999998 111.334 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 52.1 t -63.34 -28.03 44.24 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 115.195 -0.911 . . . . 70.239999999999995 110.595 -177.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.5 t -60.55 -37.94 76.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 123.503 0.721 . . . . 74.129999999999995 110.659 172.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -81.46 -16.64 51.37 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.455 0.702 . . . . 73.319999999999993 112.787 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -103.61 154.62 19.3 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.441 0.696 . . . . 64.0 111.191 -176.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 t 54.84 29.97 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 C-N-CA 125.051 1.341 . . . . 72.420000000000002 111.54 173.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.8 m -89.65 58.31 4.25 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.509 0.724 . . . . 62.240000000000002 111.888 -172.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -150.74 107.27 3.07 Favored Pre-proline 0 CA--C 1.55 0.97 0 N-CA-C 108.511 -0.922 . . . . 63.240000000000002 108.511 172.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -88.96 11.53 2.98 Favored 'Trans proline' 0 C--N 1.373 1.867 0 C-N-CA 122.863 2.375 . . . . 72.340000000000003 112.92 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 . . . . . 0 C--O 1.248 1.002 0 C-N-CA 124.022 0.929 . . . . 74.120000000000005 109.903 -179.458 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.626 'ZN ' ' SG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 110.024 -0.362 . . . . 74.450000000000003 110.024 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -89.1 125.2 34.93 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.402 -0.962 . . . . 63.240000000000002 108.402 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.7 ttt -71.55 86.75 0.89 Allowed 'General case' 0 C--O 1.243 0.735 0 N-CA-C 109.089 -0.708 . . . . 75.340000000000003 109.089 177.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.4 m -80.82 78.71 7.58 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 108.341 -0.985 . . . . 71.439999999999998 108.341 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -80.47 -43.36 9.4 Favored Glycine 0 C--N 1.343 0.966 0 CA-C-N 115.385 -0.825 . . . . 71.420000000000002 111.284 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.58 -152.85 49.83 Favored Glycine 0 C--N 1.357 1.697 0 O-C-N 124.074 0.514 . . . . 72.230000000000004 112.632 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 75.6 m -157.08 150.52 18.94 Favored Pre-proline 0 N--CA 1.477 0.882 0 C-N-CA 124.2 1.0 . . . . 74.230000000000004 110.106 177.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -66.21 72.14 0.39 Allowed 'Trans proline' 0 C--N 1.377 2.064 0 C-N-CA 122.862 2.375 . . . . 73.010000000000005 111.661 166.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -71.75 -13.64 61.77 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.759 0.824 . . . . 75.319999999999993 111.98 -173.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.42 29.7 0.43 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.147 0.979 . . . . 75.329999999999998 112.268 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.5 m -92.99 62.77 3.66 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-O 122.008 0.909 . . . . 74.409999999999997 109.348 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.38 76.5 2.03 Favored Glycine 0 C--N 1.343 0.929 0 N-CA-C 109.112 -1.595 . . . . 72.430000000000007 109.112 174.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -62.89 91.67 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.099 0.96 . . . . 72.319999999999993 112.151 -169.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.1 p -91.05 112.09 23.83 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 115.27 -0.877 . . . . 72.140000000000001 108.773 171.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.34 86.33 1.48 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.144 0.578 . . . . 73.510000000000005 109.545 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -78.4 73.0 4.96 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.957 0.903 . . . . 65.209999999999994 109.129 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.3 m -80.74 95.87 6.76 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.421 -0.809 . . . . 65.230000000000004 110.662 -175.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -99.1 75.36 2.03 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 106.751 -1.574 . . . . 75.209999999999994 106.751 172.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.06 84.36 0.7 Allowed Glycine 0 C--N 1.347 1.179 0 CA-C-N 115.619 -0.719 . . . . 74.230000000000004 112.876 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.77 85.6 7.27 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 108.924 -0.769 . . . . 73.230000000000004 108.924 174.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.0 t -93.76 102.08 14.21 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 123.703 0.801 . . . . 63.25 110.143 -173.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -76.86 143.62 39.56 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 108.645 -0.872 . . . . 73.209999999999994 108.645 173.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -70.05 -63.73 1.02 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 122.59 0.356 . . . . 65.439999999999998 111.069 -173.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -88.8 139.6 30.29 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 122.846 0.458 . . . . 74.310000000000002 110.155 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -145.1 -37.74 0.06 OUTLIER Glycine 0 C--N 1.34 0.762 0 CA-C-N 115.717 -0.674 . . . . 75.409999999999997 111.49 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.87 79.0 1.17 Allowed Glycine 0 C--N 1.344 1.025 0 O-C-N 123.899 0.411 . . . . 61.109999999999999 112.336 175.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.64 140.32 84.14 Favored Pre-proline 0 CA--C 1.558 1.271 0 C-N-CA 123.967 0.907 . . . . 73.5 110.414 176.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -68.39 132.37 25.48 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 122.588 2.192 . . . . 70.299999999999997 112.316 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -62.5 131.24 32.91 Favored 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 122.166 1.911 . . . . 71.540000000000006 112.127 175.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.42 132.3 41.83 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.915 0.486 . . . . 63.32 110.822 178.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.0 tp -74.45 148.25 41.25 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.129 -0.693 . . . . 73.329999999999998 109.129 174.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -71.61 91.18 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 N-CA-C 108.504 -0.924 . . . . 75.530000000000001 108.504 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 60.0 t -95.82 97.72 6.96 Favored 'Isoleucine or valine' 0 C--N 1.346 0.451 0 C-N-CA 124.249 1.02 . . . . 73.409999999999997 108.714 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -126.76 90.4 49.77 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 108.819 -0.808 . . . . 72.530000000000001 108.819 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -68.3 -22.85 39.31 Favored 'Trans proline' 0 C--N 1.371 1.752 0 C-N-CA 122.628 2.218 . . . . 73.239999999999995 111.929 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.1 mt -76.69 -1.2 26.65 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.023 -0.99 . . . . 74.230000000000004 112.235 -174.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 20.9 ptp -56.01 -31.31 62.96 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.356 0.598 . . . . 75.299999999999997 111.133 168.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' HG3' HG12 ' A' ' 40' ' ' ILE . 55.3 tptt -75.11 104.33 5.65 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 107.559 -1.275 . . . . 74.239999999999995 107.559 166.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -52.29 -72.06 0.06 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.503 1.121 . . . . 74.340000000000003 113.15 -174.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.432 HG12 ' HG3' ' A' ' 38' ' ' LYS . 24.3 mm 65.58 149.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 124.605 1.191 . . . . 63.509999999999998 111.885 -176.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.504 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 49.8 t -65.29 114.72 4.94 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 108.824 -0.806 . . . . 70.019999999999996 108.824 172.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.503 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 50.6 t-80 -70.13 -3.48 16.9 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.075 0.95 . . . . 71.319999999999993 112.857 -172.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.2 mt -107.97 -38.82 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 122.997 0.519 . . . . 74.140000000000001 110.429 174.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.679 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 84.2 m -82.92 -41.57 18.72 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.743 0.417 . . . . 73.340000000000003 111.703 -173.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 77.16 -36.58 0.25 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.703 1.601 . . . . 74.099999999999994 112.287 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -79.76 -45.25 19.2 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.237 0.615 . . . . 75.219999999999999 111.002 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.65 -73.44 0.48 Allowed Glycine 0 C--N 1.351 1.368 0 N-CA-C 111.583 -0.607 . . . . 74.030000000000001 111.583 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.6 t70 61.22 -82.62 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 124.457 1.103 . . . . 71.230000000000004 112.345 172.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.4 t -84.41 90.39 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 123.183 0.593 . . . . 74.540000000000006 109.561 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -71.01 -26.61 63.19 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.765 0.826 . . . . 71.25 111.234 175.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.29 -34.7 70.84 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.408 1.083 . . . . 74.430000000000007 112.747 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.5 m -102.91 14.32 32.23 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.568 0.347 . . . . 74.129999999999995 111.601 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 51.9 ttm -85.61 103.95 14.91 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.72 -0.845 . . . . 74.010000000000005 108.72 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.0 mt -83.96 150.58 25.56 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.588 1.155 . . . . 75.040000000000006 109.657 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -113.73 119.06 36.11 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 108.874 -0.788 . . . . 72.319999999999993 108.874 -175.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.4 t -78.95 91.05 4.78 Favored 'General case' 0 C--O 1.245 0.82 0 N-CA-C 108.808 -0.812 . . . . 72.519999999999996 108.808 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.98 96.09 3.11 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.561 0.745 . . . . 73.430000000000007 110.294 -176.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 156.81 -47.76 0.47 Allowed Glycine 0 CA--C 1.505 -0.546 0 N-CA-C 110.701 -0.959 . . . . 71.25 110.701 173.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.2 p -111.69 -6.07 14.39 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.303 0.641 . . . . 65.450000000000003 111.888 -173.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.8 t70 71.37 81.05 0.15 Allowed 'General case' 0 C--N 1.36 1.046 0 C-N-CA 123.981 0.913 . . . . 74.409999999999997 110.568 174.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -141.09 165.12 28.41 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 109.32 -0.622 . . . . 74.340000000000003 109.32 175.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 71.6 m -144.99 125.97 14.5 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.777 -0.647 . . . . 72.349999999999994 109.972 172.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.503 ' CE1' ' HB3' ' A' ' 42' ' ' HIS . 97.7 m-85 -141.89 146.43 35.75 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.88 0.872 . . . . 74.340000000000003 109.436 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.691 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 28.9 m80 -77.8 161.19 27.85 Favored 'General case' 0 C--O 1.248 1.003 0 N-CA-C 109.102 -0.703 . . . . 74.519999999999996 109.102 169.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.619 HG23 HG12 ' A' ' 75' ' ' ILE . 34.5 p -62.46 -42.93 99.82 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.392 -0.822 . . . . 71.540000000000006 110.119 171.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -90.32 50.81 1.9 Allowed 'General case' 0 CA--C 1.558 1.273 0 CA-C-N 115.058 -0.973 . . . . 74.140000000000001 110.836 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.691 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 83.3 m -134.68 -54.66 0.83 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.679 1.192 . . . . 74.120000000000005 108.561 175.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.8 mt -71.44 105.92 3.74 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 114.4 -1.273 . . . . 63.109999999999999 110.499 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.98 136.69 69.62 Favored Pre-proline 0 CA--C 1.552 1.037 0 C-N-CA 123.052 0.541 . . . . 73.310000000000002 110.834 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -69.48 132.2 21.18 Favored 'Cis proline' 0 C--N 1.383 2.376 0 CA-C-N 119.84 0.979 . . . . 74.549999999999997 111.685 -3.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -51.88 122.05 9.78 Favored 'Trans proline' 0 C--N 1.39 2.719 0 C-N-CA 123.423 2.748 . . . . 72.299999999999997 112.262 -171.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.3 mt -62.61 96.69 0.09 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.285 1.034 . . . . 73.430000000000007 109.814 -177.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.0 m -62.31 -33.38 74.57 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.858 0.863 . . . . 64.439999999999998 111.022 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.6 p -98.84 123.23 42.96 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 123.473 0.709 . . . . 64.230000000000004 109.443 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.619 HG12 HG23 ' A' ' 65' ' ' THR . 25.5 mt -91.61 113.21 57.93 Favored Pre-proline 0 N--CA 1.474 0.746 0 C-N-CA 124.55 1.14 . . . . 65.129999999999995 109.413 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.95 129.31 19.35 Favored 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 122.712 2.275 . . . . 74.140000000000001 112.896 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -78.62 -39.02 38.39 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 108.733 -0.84 . . . . 74.129999999999995 108.733 173.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.83 -178.79 34.78 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 114.874 -1.057 . . . . 53.350000000000001 112.781 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -65.18 142.05 58.46 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.439 0.695 . . . . 74.120000000000005 110.582 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -134.6 144.29 47.82 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.408 0.683 . . . . 62.039999999999999 110.572 -171.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.3 mt -127.13 143.59 51.23 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 124.565 1.146 . . . . 72.25 109.392 171.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.4 p -71.45 142.66 86.85 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 123.527 0.731 . . . . 72.109999999999999 110.861 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -47.65 -29.46 10.84 Favored 'Trans proline' 0 C--N 1.384 2.406 0 C-N-CA 123.71 2.94 . . . . 74.299999999999997 113.888 174.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -49.1 -60.39 2.83 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.549 1.14 . . . . 74.420000000000002 111.14 173.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.1 m -80.8 -24.17 38.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.205 -0.907 . . . . 73.150000000000006 111.654 -170.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.01 -30.82 48.4 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.079 0 CA-C-O 121.254 0.55 . . . . 73.239999999999995 109.908 172.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 67.0 t -87.32 -45.77 16.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 C-N-CA 123.418 0.687 . . . . 75.140000000000001 110.967 174.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -76.01 -12.86 60.21 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 114.528 1.307 . . . . 74.129999999999995 114.528 -168.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.89 -15.02 58.18 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-N 118.638 0.654 . . . . 72.510000000000005 111.412 174.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 44.3 t -117.56 142.1 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.454 0.701 . . . . 74.230000000000004 109.611 177.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.1 p -139.69 102.45 4.44 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 108.845 -0.798 . . . . 75.209999999999994 108.845 174.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 67.96 167.58 0.12 Allowed Pre-proline 0 N--CA 1.492 1.63 0 C-N-CA 124.958 1.303 . . . . 75.319999999999993 111.263 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -42.83 104.42 0.05 OUTLIER 'Trans proline' 0 C--N 1.386 2.536 0 C-N-CA 123.081 2.521 . . . . 75.310000000000002 113.043 166.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 . . . . . 0 CA--C 1.549 0.919 0 C-N-CA 124.672 1.189 . . . . 73.109999999999999 109.925 -171.793 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.679 'ZN ' ' SG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.6 m . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 110.2 -0.296 . . . . 63.229999999999997 110.2 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -158.06 177.19 11.59 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.735 0.814 . . . . 73.219999999999999 109.817 -177.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -69.52 105.2 2.56 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.568 -0.901 . . . . 74.409999999999997 108.568 172.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.3 t -136.8 159.11 42.82 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 123.268 0.627 . . . . 73.450000000000003 110.025 -173.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.66 -20.59 76.32 Favored Glycine 0 C--N 1.344 1.012 0 CA-C-N 115.632 -0.713 . . . . 74.209999999999994 111.673 172.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.05 -71.32 2.92 Favored Glycine 0 C--N 1.348 1.236 0 N-CA-C 111.56 -0.616 . . . . 70.329999999999998 111.56 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 63.1 m -149.85 143.23 16.49 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 124.065 0.946 . . . . 74.230000000000004 108.823 175.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -81.44 179.39 5.84 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 122.864 2.376 . . . . 73.439999999999998 112.011 174.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.8 mt -73.47 127.07 31.7 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.852 0.461 . . . . 74.219999999999999 109.892 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.54 78.98 3.23 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.182 0.593 . . . . 74.439999999999998 109.617 177.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -79.92 165.26 22.82 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.755 0.822 . . . . 72.349999999999994 111.462 -174.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.84 76.05 0.22 Allowed Glycine 0 C--N 1.337 0.617 0 N-CA-C 110.244 -1.142 . . . . 74.430000000000007 110.244 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.9 m -125.7 105.04 8.7 Favored 'General case' 0 C--O 1.24 0.603 0 C-N-CA 123.703 0.801 . . . . 73.329999999999998 110.224 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 97.5 m -141.85 143.09 33.19 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.912 1.285 . . . . 71.310000000000002 107.906 176.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.9 128.25 35.3 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 123.268 0.627 . . . . 71.329999999999998 109.895 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -62.53 97.46 0.1 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.489 1.116 . . . . 75.25 109.988 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.7 p -77.64 81.82 4.07 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.122 0.969 . . . . 72.319999999999993 111.538 -174.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -138.29 90.63 2.49 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.132 0.973 . . . . 70.420000000000002 109.239 177.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.56 145.01 17.56 Favored Glycine 0 C--N 1.351 1.385 0 CA-C-N 116.297 -0.41 . . . . 71.109999999999999 112.367 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.91 99.27 8.28 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.553 0.741 . . . . 70.209999999999994 111.701 -173.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.3 p -86.91 156.12 19.95 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.247 0.619 . . . . 74.439999999999998 110.161 172.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -124.14 -67.06 0.95 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.173 0.589 . . . . 75.019999999999996 110.294 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.492 ' HG3' ' H ' ' A' ' 24' ' ' LYS . 17.9 tptm 58.93 -173.66 0.1 Allowed 'General case' 0 CA--C 1.566 1.561 0 C-N-CA 124.442 1.097 . . . . 75.329999999999998 109.851 -172.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.492 ' H ' ' HG3' ' A' ' 23' ' ' LYS . 51.8 tptt 69.21 169.49 0.29 Allowed 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 124.045 0.938 . . . . 74.349999999999994 110.358 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.75 20.27 61.88 Favored Glycine 0 N--CA 1.472 1.073 0 O-C-N 121.776 -0.577 . . . . 62.109999999999999 112.885 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.24 44.94 3.23 Favored Glycine 0 C--N 1.344 1.028 0 C-N-CA 123.26 0.457 . . . . 74.329999999999998 112.601 -177.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -112.73 98.06 43.35 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 124.199 1.0 . . . . 65.040000000000006 108.731 176.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -69.42 163.45 37.96 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 123.313 2.675 . . . . 75.299999999999997 112.351 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -64.94 76.08 0.21 Allowed 'Trans proline' 0 C--N 1.384 2.412 0 C-N-CA 123.262 2.641 . . . . 74.510000000000005 111.887 177.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -164.35 6.66 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.667 1.187 . . . . 72.450000000000003 110.1 -173.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.8 tp -81.25 101.44 9.74 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 108.546 -0.909 . . . . 73.329999999999998 108.546 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 54.3 mt -70.48 93.01 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-O 121.548 0.69 . . . . 74.450000000000003 111.059 -175.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.3 t -72.28 151.33 8.28 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 107.394 -1.335 . . . . 74.409999999999997 107.394 164.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.605 ' HB3' ' HB2' ' A' ' 37' ' ' MET . 5.7 m-20 -46.49 105.2 0.45 Allowed Pre-proline 0 N--CA 1.488 1.471 0 C-N-CA 123.911 0.884 . . . . 65.109999999999999 111.223 -175.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.66 -57.67 0.79 Allowed 'Trans proline' 0 C--N 1.385 2.449 0 C-N-CA 123.544 2.829 . . . . 73.219999999999999 112.702 -170.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.4 mt -98.62 -65.83 0.94 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.662 -0.699 . . . . 75.25 109.162 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.605 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 25.2 ttt 44.22 83.19 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.961 1.304 . . . . 71.200000000000003 111.318 -173.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.1 tttm -127.45 2.65 6.26 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 108.701 -0.852 . . . . 74.120000000000005 108.701 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 61.1 69.46 0.67 Allowed 'General case' 0 C--N 1.36 1.032 0 C-N-CA 124.255 1.022 . . . . 75.109999999999999 108.933 -169.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.3 mt -94.97 155.96 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 113.922 -1.49 . . . . 71.319999999999993 110.926 -171.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.741 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 46.1 t -65.76 107.76 1.89 Allowed 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 108.925 -0.768 . . . . 64.439999999999998 108.925 173.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -71.99 2.63 5.37 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 125.332 1.453 . . . . 74.219999999999999 111.907 -171.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.9 mt -116.15 -32.07 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 C-N-CA 123.504 0.722 . . . . 71.140000000000001 110.201 174.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.639 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 91.7 m -82.78 -20.02 36.62 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 118.82 -0.61 . . . . 72.400000000000006 111.508 -178.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 76.9 -40.34 0.36 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 125.074 1.35 . . . . 64.230000000000004 112.065 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -104.71 165.33 11.14 Favored 'General case' 0 C--O 1.246 0.88 0 C-N-CA 124.024 0.93 . . . . 71.299999999999997 110.51 173.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.62 -41.62 99.04 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 115.168 -0.924 . . . . 70.239999999999995 112.625 176.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.9 t70 62.02 -88.81 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.077 1.351 . . . . 75.319999999999993 111.367 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.8 t -115.22 99.86 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 123.478 0.711 . . . . 70.439999999999998 109.319 175.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -67.73 -25.38 65.62 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.257 0.623 . . . . 74.310000000000002 111.845 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -64.64 -29.5 70.51 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.331 1.052 . . . . 72.329999999999998 112.646 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.3 m -111.15 13.13 21.87 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.207 0.603 . . . . 71.510000000000005 111.256 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 48.2 ttm -81.32 106.98 13.72 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 123.161 0.584 . . . . 74.430000000000007 109.778 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 53.3 mt -85.25 141.21 30.27 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 125.013 1.325 . . . . 73.430000000000007 109.341 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -116.18 120.96 40.68 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.573 0.749 . . . . 75.120000000000005 109.439 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.627 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 41.8 t -72.99 114.83 11.58 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 108.643 -0.873 . . . . 71.319999999999993 108.643 176.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -53.32 -43.1 67.36 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 124.354 1.034 . . . . 73.430000000000007 110.832 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.488 ' O ' ' SG ' ' A' ' 59' ' ' CYS . . . -99.31 43.22 1.86 Allowed Glycine 0 C--N 1.344 1.0 0 CA-C-N 115.744 -0.662 . . . . 70.109999999999999 113.467 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.781 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 90.3 m -162.32 -176.42 5.08 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.461 0.705 . . . . 72.400000000000006 110.773 172.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -100.64 -22.39 14.95 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.249 1.42 . . . . 74.310000000000002 109.445 171.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.19 148.27 48.84 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 125.048 1.339 . . . . 74.150000000000006 111.756 -175.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.6 m -130.64 146.82 52.22 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 114.399 -1.273 . . . . 73.310000000000002 107.759 170.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.438 ' HD2' ' HH2' ' A' ' 80' ' ' TRP . 99.0 m-85 -139.45 158.65 43.77 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.021 0.928 . . . . 75.409999999999997 108.512 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.796 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 38.3 m80 -86.68 166.65 15.17 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 108.758 -0.83 . . . . 70.439999999999998 108.758 167.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.621 HG22 HD11 ' A' ' 75' ' ' ILE . 10.1 p -62.16 -43.39 98.94 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.477 -0.783 . . . . 70.409999999999997 109.936 169.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -91.48 40.59 1.04 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.163 0.985 . . . . 72.329999999999998 112.43 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.796 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 88.0 m -126.55 -50.75 1.5 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.36 0.664 . . . . 72.230000000000004 110.267 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.541 HD13 ' HZ2' ' A' ' 80' ' ' TRP . 97.0 mt -61.48 153.32 27.6 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.487 -0.779 . . . . 64.019999999999996 111.487 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mp -111.24 115.65 52.12 Favored Pre-proline 0 CA--C 1.548 0.878 0 N-CA-C 107.909 -1.145 . . . . 75.409999999999997 107.909 174.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -79.43 147.35 78.8 Favored 'Cis proline' 0 C--N 1.383 2.389 0 CA-C-N 120.114 1.076 . . . . 64.010000000000005 112.895 2.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.55 123.91 11.0 Favored 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 122.326 2.017 . . . . 73.209999999999994 111.684 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.452 ' O ' ' HB ' ' A' ' 65' ' ' THR . 45.0 mt -66.31 108.79 2.44 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.735 0.814 . . . . 65.129999999999995 109.051 178.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.4 p -85.0 6.65 24.29 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.99 0.916 . . . . 65.099999999999994 111.288 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.6 m -140.27 140.87 35.83 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 124.399 1.079 . . . . 63.299999999999997 109.133 172.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.621 HD11 HG22 ' A' ' 65' ' ' THR . 29.3 mm -74.3 118.71 71.92 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 123.715 0.806 . . . . 74.140000000000001 110.088 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.57 108.66 1.26 Allowed 'Trans proline' 0 C--N 1.378 2.13 0 C-N-CA 122.686 2.258 . . . . 71.319999999999993 110.951 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -93.15 107.99 19.68 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.303 -0.862 . . . . 70.329999999999998 110.25 -174.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 139.89 -137.78 8.69 Favored Glycine 0 C--N 1.34 0.766 0 N-CA-C 110.765 -0.934 . . . . 74.400000000000006 110.765 -172.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -101.86 125.65 48.58 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 108.629 -0.878 . . . . 72.239999999999995 108.629 173.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.541 ' HZ2' HD13 ' A' ' 68' ' ' LEU . 78.6 t90 -107.65 134.53 50.5 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 123.672 0.789 . . . . 74.439999999999998 108.961 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.454 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 95.8 mt -113.36 144.27 43.05 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.985 0.914 . . . . 74.129999999999995 109.644 174.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.781 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 27.9 p -65.41 154.47 87.7 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 123.412 0.685 . . . . 73.099999999999994 110.949 174.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -51.58 -25.81 20.72 Favored 'Trans proline' 0 C--N 1.373 1.861 0 C-N-CA 123.092 2.528 . . . . 75.540000000000006 113.844 172.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -68.86 -40.84 79.12 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.488 0.715 . . . . 75.340000000000003 110.508 176.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.715 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 80.7 m -68.89 -28.34 66.59 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 122.861 0.464 . . . . 74.5 111.635 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.32 -39.33 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 O-C-N 124.175 0.922 . . . . 73.239999999999995 110.322 174.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.8 t -66.82 -37.11 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 123.501 0.721 . . . . 71.5 110.634 177.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -71.1 -29.0 64.73 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.815 0.846 . . . . 75.310000000000002 110.49 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 69.33 -170.94 0.18 Allowed 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.065 1.346 . . . . 63.409999999999997 109.733 -167.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 72.9 t -99.0 85.11 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 N-CA-C 108.083 -1.08 . . . . 70.439999999999998 108.083 171.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 45.3 m -77.27 75.76 3.83 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 121.801 0.81 . . . . 62.420000000000002 109.242 176.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -165.63 138.53 3.49 Favored Pre-proline 0 CA--C 1.547 0.853 0 CA-C-N 114.603 -1.181 . . . . 73.319999999999993 109.265 -171.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -70.37 74.76 1.53 Allowed 'Trans proline' 0 C--N 1.37 1.707 0 C-N-CA 122.77 2.313 . . . . 71.340000000000003 110.646 169.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.337 -0.847 . . . . 72.219999999999999 109.196 -177.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.666 'ZN ' ' SG ' ' A' ' 67' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . 0.676 'ZN ' ' SG ' ' A' ' 59' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.5 t . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 109.682 -0.488 . . . . 74.549999999999997 109.682 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -119.58 113.17 20.3 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 124.291 1.036 . . . . 72.420000000000002 108.647 174.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.6 ptm -69.59 168.69 14.21 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.265 0.626 . . . . 74.319999999999993 110.937 177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.4 t -69.61 107.5 3.45 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 109.04 -0.726 . . . . 71.329999999999998 109.04 174.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.42 -17.36 43.55 Favored Glycine 0 C--N 1.347 1.175 0 C-N-CA 123.48 0.562 . . . . 73.120000000000005 112.097 -173.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.24 118.63 7.44 Favored Glycine 0 C--N 1.35 1.324 0 C-N-CA 123.164 0.412 . . . . 71.010000000000005 112.599 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.0 t -165.14 151.46 9.0 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 124.421 1.088 . . . . 45.399999999999999 108.946 -177.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -63.89 125.67 15.82 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 121.484 1.456 . . . . 71.329999999999998 109.813 168.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.89 90.18 1.11 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.891 0.876 . . . . 75.030000000000001 109.775 -173.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.25 82.22 1.35 Allowed 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 114.853 -1.067 . . . . 74.109999999999999 111.316 -173.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.1 p -82.66 81.28 8.5 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.153 -0.931 . . . . 74.239999999999995 108.726 173.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -125.35 128.66 6.66 Favored Glycine 0 C--N 1.346 1.085 0 CA-C-N 115.794 -0.639 . . . . 72.109999999999999 111.505 -178.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.3 p -116.51 158.72 23.16 Favored 'General case' 0 C--O 1.244 0.796 0 C-N-CA 123.937 0.895 . . . . 72.299999999999997 109.016 174.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -127.98 162.75 26.07 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.16 0.984 . . . . 71.340000000000003 109.684 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -164.02 84.91 0.46 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.461 0.705 . . . . 70.109999999999999 110.38 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -79.37 83.41 5.4 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 109.15 -0.685 . . . . 72.150000000000006 109.15 173.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.2 p -91.15 84.83 5.74 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 108.707 -0.849 . . . . 75.120000000000005 108.707 173.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -105.74 97.28 7.13 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.878 -1.055 . . . . 71.409999999999997 108.288 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -158.45 45.77 0.46 Allowed Glycine 0 C--N 1.341 0.847 0 CA-C-N 115.608 -0.724 . . . . 64.299999999999997 111.485 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.31 -10.73 59.88 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.754 0.821 . . . . 73.019999999999996 112.277 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.5 p -60.7 -26.41 67.12 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.068 0.947 . . . . 74.5 113.526 -176.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -71.23 102.63 2.59 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.001 0.52 . . . . 72.129999999999995 110.622 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -137.54 30.86 2.59 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.5 0.72 . . . . 72.239999999999995 109.11 174.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -75.79 141.28 42.56 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 114.944 -1.026 . . . . 75.549999999999997 110.108 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.49 37.66 0.06 OUTLIER Glycine 0 C--N 1.346 1.137 0 N-CA-C 112.237 -0.345 . . . . 63.350000000000001 112.237 175.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -162.27 75.48 0.18 Allowed Glycine 0 C--N 1.339 0.741 0 N-CA-C 110.994 -0.842 . . . . 54.530000000000001 110.994 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -72.61 133.51 82.59 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 123.611 0.765 . . . . 72.329999999999998 110.356 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -66.62 120.96 8.12 Favored 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.573 2.182 . . . . 72.299999999999997 112.026 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -63.34 90.64 0.14 Allowed 'Trans proline' 0 C--N 1.387 2.559 0 C-N-CA 122.989 2.459 . . . . 73.230000000000004 112.522 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.35 127.77 33.57 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 123.7 0.8 . . . . 71.230000000000004 109.686 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 pp -153.04 159.42 42.86 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.369 0.668 . . . . 71.430000000000007 111.375 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 pp -131.23 158.8 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.8 1.24 . . . . 74.329999999999998 108.584 174.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 51.5 t -132.56 103.82 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 N-CA-C 107.944 -1.132 . . . . 73.140000000000001 107.944 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -124.43 107.88 29.49 Favored Pre-proline 0 N--CA 1.476 0.855 0 C-N-CA 123.827 0.851 . . . . 62.020000000000003 111.218 -177.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.98 -2.94 13.21 Favored 'Trans proline' 0 C--N 1.37 1.684 0 C-N-CA 122.601 2.201 . . . . 64.25 112.014 162.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tt 71.48 -78.54 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.904 1.682 . . . . 75.140000000000001 109.691 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 65.8 mtt -63.57 -39.2 93.78 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.211 1.004 . . . . 74.109999999999999 110.863 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 tptp 53.38 88.67 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 O-C-N 124.693 1.246 . . . . 73.319999999999993 110.872 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.615 ' HB3' ' HG2' ' A' ' 53' ' ' MET . 99.0 m-85 -75.77 93.19 3.1 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.498 0.719 . . . . 74.530000000000001 110.204 -173.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.3 mt -90.28 111.15 22.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 108.241 -1.022 . . . . 71.329999999999998 108.241 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.448 ' HB2' ' HE3' ' A' ' 53' ' ' MET . 47.4 t -58.05 124.29 18.81 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.393 0.677 . . . . 74.140000000000001 109.765 176.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -75.89 -8.19 56.32 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.658 0.783 . . . . 73.200000000000003 111.499 -174.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.6 mt -93.94 -40.35 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.059 0 C-N-CA 123.63 0.772 . . . . 73.349999999999994 109.07 175.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.743 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 56.5 m -84.06 -32.98 24.55 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.894 0.878 . . . . 72.129999999999995 112.533 -176.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 63.66 13.21 7.17 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 125.106 1.363 . . . . 72.219999999999999 111.385 -164.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -110.65 -72.74 0.71 Allowed 'General case' 0 C--N 1.354 0.786 0 C-N-CA 123.681 0.793 . . . . 74.040000000000006 109.295 -176.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.72 43.28 4.86 Favored Glycine 0 C--N 1.35 1.353 0 N-CA-C 110.588 -1.005 . . . . 64.519999999999996 110.588 -168.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -44.78 -72.33 0.06 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.665 1.586 . . . . 72.129999999999995 112.035 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.2 t -106.88 90.98 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 108.849 -0.796 . . . . 74.140000000000001 108.849 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.464 ' HA ' ' HB2' ' A' ' 53' ' ' MET . 54.8 mt-10 -73.09 -21.35 60.77 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.578 0.751 . . . . 74.150000000000006 110.623 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.11 -34.91 78.62 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.228 1.011 . . . . 72.340000000000003 110.927 173.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.0 m -103.94 20.05 18.88 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.792 0.837 . . . . 74.140000000000001 110.92 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.615 ' HG2' ' HB3' ' A' ' 39' ' ' TYR . 53.0 tpp -77.03 125.16 28.86 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 116.006 -0.543 . . . . 75.349999999999994 109.921 178.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.458 HD13 HG22 ' A' ' 65' ' ' THR . 85.4 mt -88.51 115.96 26.4 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.315 -0.994 . . . . 75.329999999999998 108.315 168.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -99.85 116.71 32.55 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.233 -1.766 . . . . 74.430000000000007 106.233 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 41.6 t -65.48 105.55 1.21 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.355 -0.609 . . . . 63.229999999999997 109.355 174.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.43 -33.31 74.56 Favored 'General case' 0 N--CA 1.483 1.209 0 O-C-N 123.741 0.651 . . . . 74.349999999999994 110.964 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.01 28.72 8.29 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 115.318 -0.855 . . . . 70.340000000000003 112.962 178.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.667 ' SG ' 'ZN ' ' A' ' 102' ' ' ' ZN' . 85.1 m -145.97 -78.48 0.18 Allowed 'General case' 0 C--N 1.353 0.722 0 C-N-CA 123.87 0.868 . . . . 61.409999999999997 108.989 172.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.4 t70 140.8 -24.95 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 126.997 2.119 . . . . 72.430000000000007 108.103 -162.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -74.89 134.09 41.69 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.712 0.634 . . . . 55.409999999999997 112.712 -162.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.539 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 66.0 m -89.07 136.13 33.18 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.864 0.865 . . . . 70.239999999999995 110.235 178.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -141.48 134.11 28.51 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.891 1.276 . . . . 73.329999999999998 108.415 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.681 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 29.0 m170 -78.21 147.86 34.26 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 118.777 0.717 . . . . 75.239999999999995 109.431 166.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.633 HG23 HG12 ' A' ' 75' ' ' ILE . 32.0 p -55.37 -48.59 74.06 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.07 0.948 . . . . 73.040000000000006 110.485 173.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -82.94 -3.33 56.95 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.919 1.287 . . . . 73.219999999999999 113.18 -173.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.743 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 74.5 m -98.99 -17.34 18.35 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 122.956 0.502 . . . . 63.43 111.527 176.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 42.0 mt -71.04 164.4 25.64 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.488 0.715 . . . . 74.519999999999996 111.496 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.7 mt -130.07 111.63 17.03 Favored Pre-proline 0 CA--C 1.553 1.066 0 N-CA-C 108.863 -0.792 . . . . 74.219999999999999 108.863 173.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.16 141.16 70.94 Favored 'Cis proline' 0 C--N 1.377 2.064 0 CA-C-N 120.01 1.039 . . . . 75.25 112.259 -0.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -60.78 127.22 21.85 Favored 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 122.706 2.27 . . . . 71.310000000000002 111.171 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.409 ' O ' ' HB ' ' A' ' 65' ' ' THR . 69.6 mt -81.84 100.08 9.39 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.31 0.644 . . . . 75.319999999999993 109.746 -177.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.3 m -64.06 -26.2 68.45 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.715 0.806 . . . . 73.439999999999998 110.858 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.5 m -110.66 132.83 53.86 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 124.215 1.006 . . . . 73.340000000000003 108.926 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.633 HG12 HG23 ' A' ' 65' ' ' THR . 50.6 mt -83.33 124.13 76.26 Favored Pre-proline 0 CA--C 1.548 0.886 0 N-CA-C 109.133 -0.691 . . . . 75.450000000000003 109.133 177.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -61.16 140.43 89.15 Favored 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 122.585 2.19 . . . . 73.349999999999994 110.74 168.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.468 ' HD2' ' O ' ' A' ' 77' ' ' LYS . 0.2 OUTLIER -61.87 97.43 0.08 Allowed 'General case' 0 CA--C 1.56 1.329 0 CA-C-O 121.931 0.872 . . . . 74.329999999999998 111.034 -176.891 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.03 -76.9 2.18 Favored Glycine 0 C--N 1.34 0.785 0 CA-C-N 115.26 -0.882 . . . . 71.530000000000001 113.765 164.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -106.85 120.16 41.27 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.902 0.881 . . . . 74.409999999999997 110.845 -173.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.425 ' CH2' ' HA ' ' A' ' 82' ' ' CYS . 74.4 t90 -121.99 155.42 35.6 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.326 1.451 . . . . 71.340000000000003 109.442 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 81.1 mt -115.22 136.48 53.06 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.827 0.851 . . . . 73.540000000000006 110.121 177.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.65 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 30.4 p -59.45 154.22 45.0 Favored Pre-proline 0 CA--C 1.553 1.086 0 C-N-CA 123.536 0.735 . . . . 73.25 111.324 177.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -49.89 -26.59 14.26 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 123.47 2.78 . . . . 75.25 113.631 172.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -75.68 -28.4 58.65 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.019 0.528 . . . . 74.299999999999997 111.593 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.681 ' SG ' 'ZN ' ' A' ' 102' ' ' ' ZN' . 86.3 m -79.46 -38.05 35.51 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 122.824 0.45 . . . . 74.340000000000003 110.266 174.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.7 t -70.1 -44.67 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 124.241 1.016 . . . . 71.329999999999998 111.29 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.413 ' O ' HG22 ' A' ' 90' ' ' VAL . 91.5 t -80.45 -18.81 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 123.006 0.522 . . . . 72.530000000000001 110.373 175.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 62.6 -85.09 0.02 OUTLIER 'General case' 0 C--N 1.359 0.996 0 C-N-CA 125.015 1.326 . . . . 74.299999999999997 110.432 -175.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -168.28 21.33 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.676 1.19 . . . . 74.109999999999999 108.034 175.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 87' ' ' VAL . 31.0 m -100.59 65.68 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 121.936 0.874 . . . . 75.200000000000003 110.578 -175.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.5 m -75.67 82.95 2.67 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 107.952 -1.129 . . . . 72.319999999999993 107.952 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -110.0 106.51 58.26 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 123.922 0.889 . . . . 73.530000000000001 109.768 -174.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -66.93 -58.58 0.14 Allowed 'Trans proline' 0 C--N 1.37 1.676 0 C-N-CA 122.112 1.875 . . . . 72.439999999999998 109.335 162.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 . . . . . 0 N--CA 1.487 1.42 0 C-N-CA 125.64 1.576 . . . . 72.019999999999996 108.716 171.109 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.629 'ZN ' ' SG ' ' A' ' 67' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . 0.681 'ZN ' ' SG ' ' A' ' 85' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 N--CA 1.482 1.129 0 N-CA-C 111.766 0.284 . . . . 72.140000000000001 111.766 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -138.89 162.5 34.67 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.063 0.545 . . . . 75.010000000000005 109.917 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -75.77 70.08 2.51 Favored 'General case' 0 CA--C 1.562 1.439 0 CA-C-O 121.974 0.892 . . . . 74.299999999999997 110.351 172.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.3 m -68.26 93.95 0.49 Allowed 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.367 -0.833 . . . . 75.120000000000005 110.91 -174.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 168.73 63.23 0.03 OUTLIER Glycine 0 C--N 1.342 0.878 0 CA-C-N 115.227 -0.897 . . . . 74.430000000000007 111.279 -177.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.71 110.98 0.46 Allowed Glycine 0 C--N 1.337 0.623 0 N-CA-C 110.681 -0.968 . . . . 65.150000000000006 110.681 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.4 p -146.13 140.63 15.68 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 123.309 0.644 . . . . 72.349999999999994 110.119 -177.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.76 159.45 42.13 Favored 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 122.551 2.168 . . . . 74.329999999999998 112.086 175.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 pp -151.65 147.18 26.43 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 123.232 0.613 . . . . 74.019999999999996 110.712 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -169.98 85.46 0.12 Allowed 'General case' 0 C--O 1.242 0.692 0 C-N-CA 124.525 1.13 . . . . 32.450000000000003 108.542 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 48.0 m -141.25 104.06 4.55 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 107.983 -1.117 . . . . 65.310000000000002 107.983 176.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.85 64.68 0.02 OUTLIER Glycine 0 C--N 1.341 0.81 0 N-CA-C 111.265 -0.734 . . . . 71.219999999999999 111.265 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.8 t -99.33 152.04 20.39 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.586 -0.524 . . . . 74.329999999999998 109.586 173.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 t -161.54 119.28 2.28 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 108.375 -0.972 . . . . 74.239999999999995 108.375 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -155.14 81.09 1.06 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.015 0.526 . . . . 71.430000000000007 110.592 -174.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -148.54 93.37 2.13 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 108.966 -0.753 . . . . 62.530000000000001 108.966 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 t -88.14 136.17 33.09 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.007 -0.542 . . . . 74.310000000000002 109.559 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -144.54 102.37 3.81 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.963 0.505 . . . . 75.209999999999994 109.712 -177.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.64 98.67 0.12 Allowed Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.272 -0.731 . . . . 75.5 111.272 178.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.83 114.2 5.57 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.568 0.747 . . . . 73.519999999999996 109.522 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 51.0 m -124.69 93.48 3.91 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.652 0.781 . . . . 74.230000000000004 109.763 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -89.48 103.14 15.8 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.476 0.71 . . . . 71.200000000000003 109.368 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -150.76 108.69 3.7 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 109.746 -0.464 . . . . 75.019999999999996 109.746 176.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -157.91 -169.27 2.77 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.602 1.161 . . . . 74.349999999999994 108.957 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.21 -152.81 21.47 Favored Glycine 0 C--N 1.344 1.026 0 CA-C-O 119.825 -0.43 . . . . 63.43 112.075 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.26 32.53 84.11 Favored Glycine 0 C--N 1.351 1.377 0 O-C-N 123.612 0.242 . . . . 74.140000000000001 113.175 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -70.42 115.79 38.49 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 124.089 0.956 . . . . 73.040000000000006 109.791 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -91.29 100.64 0.23 Allowed 'Trans proline' 0 C--N 1.384 2.398 0 C-N-CA 123.164 2.576 . . . . 74.030000000000001 112.165 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -90.75 86.37 0.33 Allowed 'Trans proline' 0 C--N 1.379 2.136 0 C-N-CA 122.484 2.123 . . . . 73.400000000000006 111.628 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.43 98.17 0.47 Allowed 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.141 -0.936 . . . . 65.409999999999997 109.881 174.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.3 mt -83.61 69.42 10.12 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.531 0.732 . . . . 74.040000000000006 110.306 -176.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.6 mm -90.05 104.69 15.44 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 N-CA-C 105.894 -1.891 . . . . 71.409999999999997 105.894 168.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.5 m -55.72 -30.79 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.444 1.098 . . . . 73.540000000000006 113.034 -168.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -107.22 138.58 19.92 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 124.336 1.055 . . . . 65.019999999999996 109.424 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -93.49 17.95 1.01 Allowed 'Trans proline' 0 CA--C 1.551 1.372 0 C-N-CA 122.664 2.242 . . . . 75.420000000000002 112.941 167.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -145.41 -65.97 0.32 Allowed 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 111.971 0.36 . . . . 73.109999999999999 111.971 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 25.9 ptt? 173.1 160.11 0.12 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.746 1.218 . . . . 73.310000000000002 109.833 -173.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 1.8 mppt? -127.65 153.65 46.2 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 106.53 -1.656 . . . . 74.200000000000003 106.53 157.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -74.0 -47.69 35.44 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.657 -0.497 . . . . 75.239999999999995 109.657 171.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.1 mt 66.92 152.55 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.559 1.304 0 C-N-CA 125.131 1.372 . . . . 74.430000000000007 111.71 -176.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.522 ' HB3' ' SG ' ' A' ' 44' ' ' CYS . 41.0 t -77.51 110.6 12.42 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 108.906 -0.776 . . . . 53.240000000000002 108.906 174.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -58.76 -16.89 18.88 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 125.141 1.376 . . . . 74.439999999999998 113.519 -171.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.5 mt -101.02 -39.76 7.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 123.292 0.637 . . . . 73.25 111.121 -175.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.522 ' SG ' ' HB3' ' A' ' 41' ' ' CYS . 32.1 p -105.27 2.4 28.95 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.945 -0.472 . . . . 62.32 112.269 -171.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 75.85 -21.54 0.31 Allowed 'General case' 0 N--CA 1.499 1.98 0 C-N-CA 125.071 1.348 . . . . 72.340000000000003 113.76 170.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -114.54 148.33 38.12 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 121.612 -0.68 . . . . 74.439999999999998 110.753 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.96 47.3 1.39 Allowed Glycine 0 C--N 1.344 1.0 0 CA-C-N 115.285 -0.87 . . . . 61.140000000000001 111.142 173.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -94.94 160.18 14.7 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.37 1.068 . . . . 72.299999999999997 108.626 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.0 t 58.07 55.89 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 CA-C-O 122.548 1.166 . . . . 75.450000000000003 108.81 -174.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.533 ' HA ' ' HE2' ' A' ' 53' ' ' MET . 34.3 mt-10 -63.43 -23.6 67.47 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 114.034 -1.439 . . . . 72.340000000000003 112.916 -173.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -72.76 -21.3 61.03 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.255 0.622 . . . . 75.430000000000007 112.007 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.4 t -96.54 -5.41 39.4 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 122.757 0.423 . . . . 74.329999999999998 111.965 -177.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.554 ' HA ' ' HA ' ' A' ' 64' ' ' HIS . 22.3 ptp -88.8 128.33 35.64 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-O 121.412 0.625 . . . . 75.019999999999996 109.796 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.478 ' HB3' ' HB3' ' A' ' 80' ' ' TRP . 87.2 mt -97.59 132.11 43.55 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.631 -1.168 . . . . 75.040000000000006 108.177 175.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.8 131.55 46.64 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 107.672 -1.233 . . . . 74.430000000000007 107.672 -175.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 41.2 t -79.89 117.39 20.71 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 122.952 0.501 . . . . 74.540000000000006 109.996 176.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.36 -36.32 81.88 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.113 0.965 . . . . 72.530000000000001 111.164 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -93.51 25.01 23.02 Favored Glycine 0 C--N 1.354 1.543 0 CA-C-N 115.716 -0.674 . . . . 61.409999999999997 113.732 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.661 ' SG ' 'ZN ' ' A' ' 102' ' ' ' ZN' . 76.2 m -150.56 -169.37 3.37 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.83 1.252 . . . . 73.439999999999998 108.379 173.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -116.21 -4.35 11.92 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.708 0.803 . . . . 72.430000000000007 110.13 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -92.56 154.64 18.3 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.334 0.654 . . . . 74.25 111.56 -165.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.5 p -118.16 127.93 54.23 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.689 1.196 . . . . 73.310000000000002 109.957 175.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -126.18 125.2 42.07 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.925 0.89 . . . . 75.420000000000002 109.541 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.683 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 49.4 m80 -67.14 152.64 45.4 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.351 0.26 . . . . 74.319999999999993 110.64 174.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.9 p -59.49 -42.63 92.57 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 124.291 0.994 . . . . 63.350000000000001 110.735 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -79.93 -30.65 39.98 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.803 0.841 . . . . 64.129999999999995 112.678 -177.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.683 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 88.6 m -64.5 -27.79 69.21 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.072 0.549 . . . . 71.150000000000006 111.906 178.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.6 mt -76.93 137.5 39.13 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.247 0.619 . . . . 75.409999999999997 110.056 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.6 mp -121.25 118.18 30.17 Favored Pre-proline 0 CA--C 1.56 1.357 0 N-CA-C 108.388 -0.967 . . . . 72.200000000000003 108.388 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.03 146.84 85.91 Favored 'Cis proline' 0 C--N 1.385 2.48 0 CA-C-N 120.509 1.218 . . . . 73.109999999999999 111.697 -3.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.05 147.0 91.72 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.304 2.003 . . . . 64.409999999999997 112.294 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.416 HD13 HD11 ' A' ' 54' ' ' LEU . 72.8 mt -74.07 79.19 1.72 Allowed 'General case' 0 C--O 1.238 0.492 0 N-CA-C 108.88 -0.785 . . . . 74.439999999999998 108.88 174.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 59.9 p -69.58 -30.47 68.25 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 108.899 -0.778 . . . . 74.5 108.899 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.9 p -96.86 108.56 21.27 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.299 -0.864 . . . . 71.340000000000003 109.109 163.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 63.3 mt -83.92 126.47 70.33 Favored Pre-proline 0 CA--C 1.546 0.826 0 CA-C-N 114.685 -1.143 . . . . 74.010000000000005 108.315 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -78.85 71.43 6.97 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.692 2.261 . . . . 73.400000000000006 113.629 -169.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.473 ' HZ1' ' HB2' ' A' ' 77' ' ' LYS . 10.4 mtmp? 72.5 -36.58 0.36 Allowed 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 125.866 1.667 . . . . 75.450000000000003 114.05 175.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.54 -47.53 0.39 Allowed Glycine 0 C--N 1.34 0.803 0 N-CA-C 110.763 -0.935 . . . . 53.329999999999998 110.763 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.64 144.48 26.64 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.956 0.902 . . . . 73.25 110.152 178.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.478 ' HB3' ' HB3' ' A' ' 54' ' ' LEU . 60.4 t90 -141.59 143.13 33.54 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.577 0.751 . . . . 74.310000000000002 110.375 -172.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.2 mt -103.28 135.61 44.6 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.282 0.633 . . . . 75.239999999999995 109.429 171.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 29.7 p -65.98 148.48 98.32 Favored Pre-proline 0 CA--C 1.548 0.871 0 O-C-N 123.945 0.778 . . . . 75.420000000000002 110.777 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.446 ' O ' HG21 ' A' ' 87' ' ' VAL . 88.9 Cg_exo -47.26 -34.71 18.86 Favored 'Trans proline' 0 C--N 1.381 2.256 0 C-N-CA 123.623 2.882 . . . . 73.340000000000003 113.028 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -57.31 -48.48 78.84 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.867 1.267 . . . . 74.310000000000002 111.452 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 80.1 m -65.63 -35.88 82.08 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.481 0.712 . . . . 72.349999999999994 111.2 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.0 t -72.64 -25.36 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 CA-C-N 114.31 -1.314 . . . . 75.439999999999998 111.489 -178.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.446 HG21 ' O ' ' A' ' 83' ' ' PRO . 78.3 t -55.5 -50.53 65.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 C-N-CA 123.347 0.659 . . . . 72.439999999999998 111.058 175.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -83.64 163.88 20.04 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.473 -0.785 . . . . 73.219999999999999 110.321 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -73.26 111.2 8.16 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.509 0.724 . . . . 64.099999999999994 110.89 -178.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.5 p -76.23 -16.32 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 123.858 0.863 . . . . 73.409999999999997 110.262 173.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.3 m 75.15 74.43 0.1 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.019 1.728 . . . . 74.340000000000003 112.037 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -96.14 114.84 65.01 Favored Pre-proline 0 CA--C 1.552 1.03 0 N-CA-C 107.746 -1.205 . . . . 71.109999999999999 107.746 166.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -67.72 88.1 0.35 Allowed 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 123.421 2.747 . . . . 72.319999999999993 113.107 -172.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 . . . . . 0 C--O 1.252 1.191 0 C-N-CA 125.342 1.457 . . . . 72.510000000000005 107.926 174.504 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . 0.661 'ZN ' ' SG ' ' A' ' 59' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.58 0.229 . . . . 72.0 110.676 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -74.13 88.52 1.95 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.418 0.687 . . . . 72.219999999999999 110.265 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.8 tpt -84.43 84.4 7.66 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 108.913 -0.773 . . . . 75.420000000000002 108.913 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.4 m -76.4 89.64 3.21 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.953 -1.021 . . . . 62.240000000000002 109.72 177.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.91 60.53 4.88 Favored Glycine 0 C--N 1.345 1.073 0 CA-C-N 115.771 -0.65 . . . . 75.439999999999998 111.741 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.83 127.96 4.25 Favored Glycine 0 C--N 1.346 1.095 0 N-CA-C 110.56 -1.016 . . . . 62.119999999999997 110.56 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.4 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 20.3 m -69.43 131.76 89.91 Favored Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 123.395 0.678 . . . . 75.0 110.88 -176.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 7' ' ' SER . 11.7 Cg_exo -71.05 121.56 7.96 Favored 'Trans proline' 0 C--N 1.382 2.324 0 C-N-CA 122.628 2.219 . . . . 72.409999999999997 111.571 178.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 pp -155.15 166.25 34.17 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 123.992 0.917 . . . . 74.340000000000003 110.099 176.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -164.09 97.62 0.82 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.987 0.915 . . . . 61.030000000000001 108.73 175.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.1 m -77.17 92.21 3.8 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.234 0.614 . . . . 74.140000000000001 109.575 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.99 100.64 0.86 Allowed Glycine 0 C--N 1.346 1.112 0 N-CA-C 110.856 -0.897 . . . . 63.25 110.856 175.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.6 t -139.37 135.74 34.01 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.823 0.849 . . . . 73.329999999999998 109.833 -173.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 t -164.93 122.2 1.57 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.959 0.903 . . . . 65.409999999999997 108.94 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.28 88.43 6.01 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.231 -0.655 . . . . 71.109999999999999 109.231 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -125.9 140.14 52.88 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.19 0.996 . . . . 74.329999999999998 109.364 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.8 t -101.72 156.64 17.37 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 108.357 -0.979 . . . . 73.010000000000005 108.357 168.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -99.42 116.1 30.79 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 109.451 -0.574 . . . . 74.439999999999998 109.451 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.44 124.05 1.05 Allowed Glycine 0 C--N 1.339 0.731 0 CA-C-N 115.641 -0.709 . . . . 65.340000000000003 111.699 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -157.84 20.6 0.26 Allowed 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.406 0.682 . . . . 71.140000000000001 111.416 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.4 m -66.06 -7.56 18.14 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.759 0.824 . . . . 53.520000000000003 113.209 -176.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.22 12.07 12.62 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.269 1.028 . . . . 60.5 112.825 177.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -47.1 -73.34 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 125.175 1.39 . . . . 75.439999999999998 114.228 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -90.93 170.02 10.41 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.151 0.58 . . . . 74.040000000000006 112.217 -168.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.6 142.16 8.94 Favored Glycine 0 C--N 1.343 0.931 0 N-CA-C 110.98 -0.848 . . . . 63.009999999999998 110.98 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.77 85.35 0.87 Allowed Glycine 0 C--N 1.346 1.129 0 N-CA-C 111.955 -0.458 . . . . 74.430000000000007 111.955 -176.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -85.11 108.1 14.3 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 124.265 1.026 . . . . 74.239999999999995 109.722 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -83.47 152.58 13.63 Favored 'Trans proline' 0 C--N 1.377 2.033 0 C-N-CA 123.053 2.502 . . . . 75.209999999999994 112.617 -175.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -72.5 138.48 29.77 Favored 'Trans proline' 0 C--N 1.379 2.147 0 C-N-CA 122.77 2.313 . . . . 75.219999999999999 112.029 175.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.06 99.08 3.8 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.049 0.54 . . . . 72.450000000000003 110.324 177.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 77.0 mt -104.78 163.69 12.32 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.776 0.83 . . . . 75.420000000000002 111.014 -175.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 pt -82.71 142.65 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 123.719 0.808 . . . . 73.530000000000001 110.468 175.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.9 m -76.93 -26.15 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 122.932 0.493 . . . . 73.340000000000003 111.555 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -109.42 99.83 38.74 Favored Pre-proline 0 CA--C 1.558 1.273 0 C-N-CA 123.306 0.642 . . . . 64.219999999999999 109.384 175.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.504 ' HG2' HD22 ' A' ' 36' ' ' LEU . 38.5 Cg_endo -65.62 -25.6 54.48 Favored 'Trans proline' 0 C--N 1.382 2.299 0 C-N-CA 123.053 2.502 . . . . 71.409999999999997 114.185 -175.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.504 HD22 ' HG2' ' A' ' 35' ' ' PRO . 3.2 mm? -80.88 -13.7 58.69 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.732 0.413 . . . . 75.319999999999993 111.925 -177.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 68.9 mtp 55.59 68.11 0.91 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.353 1.061 . . . . 74.5 110.871 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -86.49 106.24 17.35 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.427 -0.806 . . . . 74.230000000000004 110.957 -173.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.451 ' HE1' ' HG ' ' A' ' 55' ' ' LEU . 89.5 m-85 -79.17 79.56 5.58 Favored 'General case' 0 C--N 1.348 0.51 0 N-CA-C 108.544 -0.91 . . . . 75.409999999999997 108.544 170.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 83.5 mt -104.76 124.15 59.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 108.371 -0.974 . . . . 75.340000000000003 108.371 178.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.516 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 47.0 t -71.85 112.12 7.68 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 109.119 -0.697 . . . . 71.519999999999996 109.119 175.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -69.57 1.5 4.03 Favored 'General case' 0 CA--C 1.561 1.388 0 N-CA-C 113.45 0.908 . . . . 75.239999999999995 113.45 -173.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.416 HG13 ' HE1' ' A' ' 63' ' ' TYR . 75.3 mt -113.08 -29.55 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.926 0.89 . . . . 72.200000000000003 110.593 174.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.641 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 56.6 m -95.9 -23.98 16.63 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 112.171 0.434 . . . . 74.299999999999997 112.171 -175.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 t30 72.36 -50.76 0.7 Allowed 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 125.625 1.57 . . . . 73.310000000000002 111.201 -167.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -75.52 128.3 34.99 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 123.877 0.871 . . . . 64.549999999999997 111.321 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.21 40.81 2.45 Favored Glycine 0 C--N 1.349 1.272 0 N-CA-C 111.126 -0.789 . . . . 74.510000000000005 111.126 172.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -64.03 -53.05 56.09 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 125.475 1.51 . . . . 74.530000000000001 110.651 -174.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.9 t -92.1 73.54 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 CA-C-N 115.185 -0.916 . . . . 74.430000000000007 109.463 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -69.79 -31.94 70.14 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.896 0.479 . . . . 75.409999999999997 110.911 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -64.29 -35.11 79.78 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.667 0.787 . . . . 61.130000000000003 112.421 -177.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -101.27 20.22 16.22 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.118 0.485 . . . . 72.219999999999999 110.021 178.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.493 ' SD ' ' HB3' ' A' ' 62' ' ' SER . 45.0 ttm -105.18 138.08 41.94 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.936 0.894 . . . . 74.430000000000007 109.078 175.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.9 mt -106.91 157.07 18.05 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.143 0.977 . . . . 72.510000000000005 110.065 177.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.451 ' HG ' ' HE1' ' A' ' 39' ' ' TYR . 3.4 tm? -128.78 139.98 51.93 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 107.761 -1.199 . . . . 74.430000000000007 107.761 -175.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.537 ' SG ' ' HB3' ' A' ' 82' ' ' CYS . 74.3 m -82.48 125.64 31.33 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.518 0.727 . . . . 75.120000000000005 111.932 -176.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -68.91 -31.86 71.07 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.367 0.667 . . . . 72.340000000000003 111.121 171.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.31 -75.28 1.28 Allowed Glycine 0 C--N 1.35 1.316 0 CA-C-N 115.707 -0.679 . . . . 52.439999999999998 113.127 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.8 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 31.1 p -82.32 -178.84 7.2 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.795 0.838 . . . . 73.519999999999996 111.797 -177.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -114.65 102.78 10.35 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.073 0.949 . . . . 73.530000000000001 109.964 -178.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -177.5 161.34 1.72 Allowed 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 124.766 1.226 . . . . 73.519999999999996 109.429 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.493 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 28.5 m -129.07 143.04 50.73 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 124.015 0.926 . . . . 62.450000000000003 109.24 172.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.416 ' HE1' HG13 ' A' ' 43' ' ' ILE . 70.1 m-85 -146.13 139.27 25.84 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.592 0.757 . . . . 71.430000000000007 109.988 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.759 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 35.5 m80 -74.81 144.52 43.47 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 108.334 -0.988 . . . . 74.409999999999997 108.334 171.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.426 HG23 HG12 ' A' ' 75' ' ' ILE . 43.0 p -59.35 -46.75 87.78 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 124.161 0.913 . . . . 65.010000000000005 111.426 177.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -70.83 -24.3 62.51 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.121 -0.945 . . . . 75.519999999999996 112.998 -178.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.759 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 17.1 p -97.01 20.79 10.66 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.089 0.471 . . . . 71.310000000000002 111.535 -177.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.8 mt -108.84 159.53 16.71 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.116 0.966 . . . . 75.329999999999998 109.786 173.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.2 mt -127.37 114.35 21.36 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 123.382 0.673 . . . . 74.109999999999999 109.231 173.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -74.86 141.87 73.06 Favored 'Cis proline' 0 C--N 1.382 2.336 0 C-N-CA 124.448 -1.063 . . . . 74.319999999999993 112.424 -1.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.56 133.4 29.82 Favored 'Trans proline' 0 C--N 1.382 2.309 0 C-N-CA 122.53 2.154 . . . . 74.120000000000005 111.806 -177.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.9 mt -83.13 76.37 9.86 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.485 0.66 . . . . 74.310000000000002 109.46 -177.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.7 p -60.09 -35.06 74.36 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.922 -1.036 . . . . 74.209999999999994 110.385 175.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.4 m -89.0 104.41 16.95 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 107.834 -1.172 . . . . 71.519999999999996 107.834 165.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.426 HG12 HG23 ' A' ' 65' ' ' THR . 51.0 mt -90.12 124.01 64.39 Favored Pre-proline 0 N--CA 1.475 0.795 0 C-N-CA 124.466 1.107 . . . . 64.450000000000003 109.999 -175.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -91.01 96.17 0.23 Allowed 'Trans proline' 0 C--N 1.374 1.875 0 C-N-CA 122.744 2.296 . . . . 74.209999999999994 111.137 169.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -71.27 66.03 0.43 Allowed 'General case' 0 CA--C 1.565 1.522 0 CA-C-O 121.335 0.588 . . . . 74.430000000000007 111.956 176.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -158.65 -158.92 9.3 Favored Glycine 0 C--N 1.342 0.911 0 N-CA-C 110.797 -0.921 . . . . 65.310000000000002 110.797 165.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -61.01 104.1 0.33 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.438 0.695 . . . . 73.099999999999994 110.58 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.413 ' O ' ' HA ' ' A' ' 56' ' ' CYS . 65.3 t90 -106.58 155.56 19.5 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.229 1.012 . . . . 74.439999999999998 109.44 -179.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.1 mt -119.21 127.38 53.22 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.579 0.752 . . . . 73.200000000000003 109.471 177.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.8 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 16.4 p -83.65 167.51 27.93 Favored Pre-proline 0 N--CA 1.477 0.896 0 C-N-CA 123.026 0.53 . . . . 72.140000000000001 110.105 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -42.42 -40.12 6.99 Favored 'Trans proline' 0 C--N 1.378 2.098 0 C-N-CA 122.909 2.406 . . . . 75.439999999999998 113.638 168.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.663 HH11 ' HB2' ' A' ' 59' ' ' CYS . 60.5 ttt-85 -62.29 -42.63 99.52 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.255 0.622 . . . . 73.200000000000003 111.509 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.785 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 69.8 m -59.18 -45.08 91.98 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.173 0.511 . . . . 73.519999999999996 110.659 175.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 43.8 t -67.96 -33.07 59.1 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.161 0 CA-C-N 114.782 -1.099 . . . . 63.509999999999998 111.202 -177.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 52.9 t -72.22 -24.85 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 123.228 0.611 . . . . 70.049999999999997 111.437 178.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -57.69 123.81 16.95 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.033 0.533 . . . . 73.120000000000005 111.109 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 67.33 178.75 0.23 Allowed 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 125.09 1.356 . . . . 71.349999999999994 111.176 -173.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.5 p -107.72 118.89 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 N-CA-C 109.103 -0.702 . . . . 75.219999999999999 109.103 172.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.4 m -70.52 118.33 13.19 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.402 0.681 . . . . 74.349999999999994 109.969 174.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -64.56 149.58 95.16 Favored Pre-proline 0 CA--C 1.555 1.158 0 N-CA-C 109.044 -0.725 . . . . 73.530000000000001 109.044 166.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.81 126.48 21.88 Favored 'Trans proline' 0 C--N 1.377 2.072 0 C-N-CA 122.427 2.085 . . . . 72.310000000000002 112.438 -177.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 . . . . . 0 CA--C 1.562 1.426 0 C-N-CA 123.562 0.745 . . . . 74.109999999999999 110.766 -176.692 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.641 'ZN ' ' SG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . 0.64 'ZN ' ' SG ' ' A' ' 82' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.2 m . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 110.509 -0.182 . . . . 70.140000000000001 110.509 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -120.16 160.2 23.36 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.01 0.924 . . . . 75.340000000000003 109.131 172.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.3 ptm -76.97 160.2 29.34 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.921 0.489 . . . . 75.150000000000006 111.081 179.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.3 t -135.4 94.96 3.18 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.485 0.714 . . . . 74.329999999999998 109.086 -175.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.84 61.69 4.7 Favored Glycine 0 C--N 1.348 1.201 0 CA-C-N 116.136 -0.483 . . . . 75.219999999999999 112.41 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.03 50.98 1.32 Allowed Glycine 0 C--N 1.349 1.264 0 C-N-CA 123.121 0.391 . . . . 51.049999999999997 112.254 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.3 p -139.23 100.67 7.73 Favored Pre-proline 0 CA--C 1.55 0.957 0 N-CA-C 108.801 -0.814 . . . . 75.329999999999998 108.801 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -81.82 178.97 6.02 Favored 'Trans proline' 0 C--N 1.372 1.777 0 C-N-CA 123.058 2.506 . . . . 75.209999999999994 112.647 -176.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pp -79.28 146.13 33.15 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.296 -0.631 . . . . 74.099999999999994 109.296 169.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.45 98.89 3.33 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.875 0.47 . . . . 73.209999999999994 110.901 -170.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.4 m -109.17 75.42 0.95 Allowed 'General case' 0 C--O 1.241 0.643 0 N-CA-C 107.545 -1.28 . . . . 75.409999999999997 107.545 169.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.6 130.01 20.04 Favored Glycine 0 C--N 1.347 1.171 0 CA-C-N 114.89 -1.05 . . . . 65.450000000000003 111.777 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.9 p -66.93 118.86 10.99 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 109.279 -0.637 . . . . 75.099999999999994 109.279 177.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.1 t -66.9 124.95 24.42 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 123.547 0.529 . . . . 73.019999999999996 109.708 -178.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.9 101.51 1.77 Allowed 'General case' 0 C--O 1.241 0.634 0 N-CA-C 109.238 -0.653 . . . . 62.0 109.238 177.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -129.78 136.41 49.59 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.821 0.848 . . . . 74.230000000000004 109.809 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.8 t -168.5 169.17 10.6 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 124.968 1.307 . . . . 73.340000000000003 108.82 -176.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -150.82 170.19 19.87 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.916 0.389 . . . . 73.540000000000006 110.83 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.45 112.32 1.55 Allowed Glycine 0 C--N 1.342 0.891 0 CA-C-N 115.62 -0.718 . . . . 72.319999999999993 111.435 -176.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.98 141.77 38.35 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.628 0.771 . . . . 74.209999999999994 110.038 -178.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.7 m -139.66 75.71 1.53 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.871 0.869 . . . . 75.409999999999997 108.792 178.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -154.17 110.53 3.29 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.904 0.481 . . . . 60.399999999999999 110.856 -174.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -139.19 161.96 36.15 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.666 1.187 . . . . 65.230000000000004 108.435 167.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -144.28 135.56 25.52 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 108.526 -0.916 . . . . 74.239999999999995 108.526 -175.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.31 122.74 6.95 Favored Glycine 0 C--N 1.343 0.957 0 O-C-N 123.728 0.643 . . . . 62.140000000000001 113.496 -177.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -89.39 -172.42 45.69 Favored Glycine 0 C--N 1.345 1.035 0 N-CA-C 112.07 -0.412 . . . . 45.439999999999998 112.07 174.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -136.23 139.67 30.61 Favored Pre-proline 0 N--CA 1.481 1.098 0 C-N-CA 123.305 0.642 . . . . 74.120000000000005 110.799 -177.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -85.88 131.56 3.84 Favored 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 122.68 2.253 . . . . 74.099999999999994 112.436 172.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -81.23 105.87 1.67 Allowed 'Trans proline' 0 C--N 1.377 2.059 0 C-N-CA 122.563 2.175 . . . . 62.109999999999999 111.711 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.9 99.98 4.67 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.908 -0.405 . . . . 64.010000000000005 109.908 177.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.3 mt -112.7 98.83 7.48 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.057 0.943 . . . . 73.230000000000004 109.98 -176.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.9 mt 53.59 68.39 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.092 0 C-N-CA 125.094 1.358 . . . . 75.150000000000006 110.729 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.9 t -92.92 91.31 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 108.74 -0.837 . . . . 73.450000000000003 108.74 177.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 68.12 135.54 0.04 OUTLIER Pre-proline 0 N--CA 1.492 1.651 0 C-N-CA 125.305 1.442 . . . . 74.5 112.008 -175.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.41 -30.26 30.02 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 122.576 2.184 . . . . 73.150000000000006 112.256 175.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.1 mt 62.42 16.54 8.71 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.975 1.31 . . . . 71.519999999999996 112.019 -177.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 25.6 ttt -100.5 99.26 9.84 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 124.05 0.94 . . . . 72.230000000000004 108.816 176.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -159.78 160.95 34.49 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 123.657 0.783 . . . . 75.450000000000003 109.872 176.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -118.78 -60.44 1.76 Allowed 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.539 -0.911 . . . . 74.230000000000004 108.539 170.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.448 HG22 ' O ' ' A' ' 45' ' ' ASN . 28.3 mt 65.26 136.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 124.836 1.335 . . . . 71.420000000000002 110.476 -175.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.853 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 42.7 t -75.9 122.3 23.93 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 109.018 -0.734 . . . . 63.439999999999998 109.018 -179.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -58.9 -23.38 61.05 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.336 1.055 . . . . 73.219999999999999 112.068 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.541 HD12 ' HB3' ' A' ' 67' ' ' CYS . 3.3 mp -108.09 -51.18 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.383 0.673 . . . . 73.040000000000006 110.338 -171.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.709 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 26.2 p -118.63 23.24 11.6 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 111.987 0.366 . . . . 71.099999999999994 111.987 -166.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.448 ' O ' HG22 ' A' ' 40' ' ' ILE . 41.3 m-80 75.42 -65.73 0.32 Allowed 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 125.859 1.663 . . . . 72.329999999999998 112.971 167.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -59.83 124.52 20.43 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.892 0.877 . . . . 72.340000000000003 112.822 -165.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.634 ' HA2' ' HE1' ' A' ' 53' ' ' MET . . . -101.06 40.33 2.45 Favored Glycine 0 C--N 1.349 1.282 0 N-CA-C 109.033 -1.627 . . . . 71.219999999999999 109.033 170.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -97.15 -50.98 4.38 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 125.878 1.671 . . . . 65.420000000000002 109.093 -172.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.5 t -85.73 70.52 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 115.061 -0.972 . . . . 75.319999999999993 108.72 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -78.64 -20.77 49.55 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.418 -0.81 . . . . 75.420000000000002 111.069 -177.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.23 -34.62 78.51 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.27 0.628 . . . . 64.400000000000006 111.826 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.8 m -102.05 2.76 38.03 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.278 0.631 . . . . 74.510000000000005 110.39 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.634 ' HE1' ' HA2' ' A' ' 47' ' ' GLY . 51.5 ttm -86.57 113.31 22.37 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 123.017 0.527 . . . . 74.200000000000003 110.228 177.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 mp -87.19 127.8 35.15 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 107.977 -1.12 . . . . 63.5 107.977 175.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -99.75 125.62 45.68 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 106.695 -1.595 . . . . 73.310000000000002 106.695 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.899 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 19.8 t -82.34 119.05 23.65 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.013 0.525 . . . . 72.310000000000002 110.945 -173.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.58 -35.23 63.02 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.362 1.065 . . . . 74.409999999999997 111.401 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.02 7.64 59.31 Favored Glycine 0 C--N 1.348 1.213 0 N-CA-C 115.112 0.805 . . . . 71.329999999999998 115.112 -178.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.653 ' SG ' 'ZN ' ' A' ' 102' ' ' ' ZN' . 22.2 p -159.69 -158.11 0.63 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 108.412 -0.959 . . . . 73.109999999999999 108.412 177.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -101.1 -24.91 14.21 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.073 0.949 . . . . 74.409999999999997 109.85 177.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.55 158.17 15.68 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.053 0.941 . . . . 74.120000000000005 112.837 -165.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.1 t -141.74 123.11 14.87 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.006 0.922 . . . . 72.120000000000005 109.42 -175.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -122.72 166.13 15.42 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.044 1.338 . . . . 72.349999999999994 109.883 -176.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.721 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 32.5 m80 -99.17 178.24 4.98 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 108.987 -0.746 . . . . 70.129999999999995 108.987 164.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.5 p -60.14 -52.59 64.68 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 114.634 -1.166 . . . . 71.219999999999999 108.807 161.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -95.28 73.55 3.33 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.25 1.02 . . . . 74.219999999999999 109.737 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.853 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 55.5 m -148.88 -13.97 0.32 Allowed 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 115.022 -0.99 . . . . 75.099999999999994 111.909 175.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 mp -110.61 179.88 3.95 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.035 0.534 . . . . 72.239999999999995 110.376 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -132.78 113.32 13.88 Favored Pre-proline 0 CA--C 1.554 1.113 0 N-CA-C 108.494 -0.928 . . . . 73.219999999999999 108.494 173.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -78.24 142.71 70.59 Favored 'Cis proline' 0 C--N 1.375 1.923 0 C-N-CA 123.464 -1.473 . . . . 71.219999999999999 112.909 -2.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.99 127.22 23.49 Favored 'Trans proline' 0 C--N 1.383 2.363 0 C-N-CA 122.682 2.255 . . . . 74.439999999999998 111.748 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.82 111.07 2.29 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.626 0.77 . . . . 71.430000000000007 110.959 -174.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.2 t -74.5 -23.38 58.84 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.954 -0.566 . . . . 72.109999999999999 111.25 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.8 m -128.99 152.26 48.79 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.809 0.844 . . . . 74.120000000000005 110.557 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.2 mm -77.95 115.76 53.05 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 123.15 0.58 . . . . 72.140000000000001 109.452 172.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -80.16 86.92 1.58 Allowed 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.426 2.084 . . . . 72.25 110.838 175.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 91.1 mttt 73.49 -68.17 0.23 Allowed 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 126.06 1.744 . . . . 72.510000000000005 111.206 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 151.96 -45.62 0.61 Allowed Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 107.804 -2.118 . . . . 75.450000000000003 107.804 -174.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.45 80.8 1.92 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 121.88 0.848 . . . . 70.120000000000005 109.363 169.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 61.4 t90 -106.33 124.96 50.4 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 108.046 -1.094 . . . . 74.239999999999995 108.046 177.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.6 mt -94.38 122.17 36.67 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 108.835 -0.802 . . . . 75.219999999999999 108.835 176.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.626 ' SG ' 'ZN ' ' A' ' 102' ' ' ' ZN' . 27.4 p -66.51 158.95 76.54 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 123.232 0.613 . . . . 71.140000000000001 110.184 170.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.81 -18.57 49.7 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.328 2.019 . . . . 74.409999999999997 113.244 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.534 ' HB3' ' SG ' ' A' ' 82' ' ' CYS . 75.4 ttt180 -63.18 -36.16 82.7 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.569 0.748 . . . . 74.420000000000002 111.32 174.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.899 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 45.2 m -77.38 -37.41 52.14 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.452 0.701 . . . . 73.219999999999999 111.807 -176.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.6 t -83.64 -39.0 14.68 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 CA-C-N 115.322 -0.854 . . . . 62.509999999999998 110.43 -174.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -100.02 20.86 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.163 0.585 . . . . 73.450000000000003 110.593 -177.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.96 152.93 43.11 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 121.187 -0.946 . . . . 73.299999999999997 109.493 171.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -85.46 51.19 2.12 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 112.979 0.733 . . . . 73.129999999999995 112.979 -166.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.0 p 42.26 63.67 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 C-N-CA 125.947 1.699 . . . . 75.319999999999993 112.362 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 86.2 p -66.4 -18.41 65.34 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 114.658 -1.156 . . . . 64.310000000000002 111.287 -177.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -141.95 92.94 7.6 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 124.732 1.213 . . . . 75.439999999999998 108.73 176.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.85 89.48 0.53 Allowed 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.377 2.051 . . . . 74.510000000000005 110.736 171.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 CA--C 1.549 0.934 0 N-CA-C 108.846 -0.798 . . . . 70.109999999999999 108.846 -178.75 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.64 'ZN ' ' SG ' ' A' ' 67' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . 0.673 'ZN ' ' SG ' ' A' ' 85' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 CA--C 1.542 0.636 0 N-CA-C 109.48 -0.563 . . . . 74.120000000000005 109.48 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -138.42 136.49 36.31 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.633 0.773 . . . . 74.030000000000001 109.18 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -77.94 88.35 4.12 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.195 0.598 . . . . 71.230000000000004 109.815 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.8 t -121.72 143.54 49.3 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.346 0.658 . . . . 72.019999999999996 109.921 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.65 -64.15 1.27 Allowed Glycine 0 C--N 1.348 1.212 0 N-CA-C 111.66 -0.576 . . . . 74.319999999999993 111.66 176.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.17 38.17 91.85 Favored Glycine 0 C--N 1.35 1.349 0 O-C-N 123.981 0.459 . . . . 71.109999999999999 113.225 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.8 p -143.15 114.92 5.86 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 123.596 0.759 . . . . 62.509999999999998 109.962 -177.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.01 82.0 1.6 Allowed 'Trans proline' 0 C--N 1.379 2.15 0 C-N-CA 122.78 2.32 . . . . 70.120000000000005 112.393 177.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.1 mt -83.3 103.1 12.42 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.857 0.863 . . . . 75.200000000000003 109.67 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.88 172.07 18.62 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.104 0.562 . . . . 70.420000000000002 110.933 -174.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 m -81.57 83.42 7.03 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 108.645 -0.872 . . . . 52.310000000000002 108.645 174.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.3 4.91 85.89 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 115.166 -0.925 . . . . 72.310000000000002 113.761 -174.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.4 t -87.51 144.81 26.53 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.382 0.673 . . . . 73.239999999999995 110.452 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.5 m -150.33 90.8 1.69 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.773 0.829 . . . . 75.129999999999995 109.241 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.39 111.81 23.46 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.252 0.621 . . . . 73.430000000000007 110.205 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -146.03 86.06 1.7 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.511 0.724 . . . . 72.129999999999995 109.627 -176.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.5 p -140.77 107.92 5.48 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.82 0.848 . . . . 72.439999999999998 109.113 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -137.35 135.88 37.43 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.172 0.989 . . . . 75.109999999999999 110.013 -175.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 144.85 108.04 0.58 Allowed Glycine 0 C--N 1.344 1.017 0 N-CA-C 111.945 -0.462 . . . . 74.409999999999997 111.945 175.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.82 85.39 1.23 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.089 0.556 . . . . 61.109999999999999 110.392 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.8 m -151.66 99.75 2.63 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.89 0.876 . . . . 71.030000000000001 109.8 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -98.28 175.53 6.03 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.527 0.731 . . . . 72.310000000000002 110.204 173.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -167.89 -158.43 0.25 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.843 1.257 . . . . 75.239999999999995 108.175 174.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? 77.4 97.94 0.07 Allowed 'General case' 0 C--N 1.364 1.203 0 C-N-CA 124.932 1.293 . . . . 74.409999999999997 109.31 175.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 163.61 -17.78 0.13 Allowed Glycine 0 C--N 1.341 0.823 0 CA-C-N 115.723 -0.671 . . . . 63.5 112.432 -176.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.25 13.55 32.59 Favored Glycine 0 C--N 1.352 1.437 0 N-CA-C 114.025 0.37 . . . . 53.140000000000001 114.025 177.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' O ' ' HD3' ' A' ' 29' ' ' PRO . 10.7 pt-20 -75.79 127.95 84.54 Favored Pre-proline 0 CA--C 1.554 1.108 0 C-N-CA 123.371 0.669 . . . . 65.0 109.458 172.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -98.32 99.57 0.07 OUTLIER 'Trans proline' 0 C--N 1.373 1.849 0 C-N-CA 123.181 2.587 . . . . 74.040000000000006 112.732 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 6.3 Cg_exo -78.62 139.12 15.77 Favored 'Trans proline' 0 C--N 1.373 1.862 0 C-N-CA 122.458 2.105 . . . . 75.409999999999997 110.972 171.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.25 -20.98 63.03 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 122.987 0.515 . . . . 63.350000000000001 112.036 -176.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 pp -89.49 15.3 9.54 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 113.12 0.785 . . . . 70.400000000000006 113.12 -176.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.0 pt -70.24 -19.99 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 CA-C-N 118.361 0.528 . . . . 74.25 111.07 173.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.9 t -92.34 111.59 24.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 N-CA-C 106.342 -1.725 . . . . 63.229999999999997 106.342 164.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 t70 64.53 87.68 0.12 Allowed Pre-proline 0 N--CA 1.482 1.137 0 C-N-CA 124.542 1.137 . . . . 73.450000000000003 109.429 -168.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -89.55 -11.71 3.33 Favored 'Trans proline' 0 C--N 1.369 1.618 0 C-N-CA 122.968 2.445 . . . . 72.349999999999994 113.955 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.88 -77.88 0.26 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 109.061 -0.718 . . . . 74.099999999999994 109.061 -175.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -171.11 122.9 0.58 Allowed 'General case' 0 C--N 1.357 0.925 0 C-N-CA 123.616 0.767 . . . . 73.450000000000003 110.047 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.481 ' HB3' HG13 ' A' ' 40' ' ' ILE . 36.0 tttt -89.46 41.85 1.06 Allowed 'General case' 0 CA--C 1.557 1.225 0 N-CA-C 107.352 -1.351 . . . . 72.540000000000006 107.352 167.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 56.43 32.81 21.35 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 115.112 -0.949 . . . . 73.230000000000004 110.171 -164.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.481 HG13 ' HB3' ' A' ' 38' ' ' LYS . 59.9 mt -77.42 125.28 37.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 CA-C-N 114.714 -1.13 . . . . 73.510000000000005 109.954 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.543 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 52.3 t -54.84 116.24 2.62 Favored 'General case' 0 C--O 1.241 0.629 0 O-C-N 124.416 1.072 . . . . 61.149999999999999 110.045 176.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -65.77 -3.54 5.1 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 125.443 1.497 . . . . 74.120000000000005 112.58 -172.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.4 mt -113.29 -32.37 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.225 0 C-N-CA 124.114 0.966 . . . . 73.530000000000001 110.499 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.813 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 73.8 m -86.15 -23.47 26.55 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 112.925 0.713 . . . . 63.32 112.925 -173.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.5 t30 76.31 -24.24 0.22 Allowed 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 125.007 1.323 . . . . 72.450000000000003 112.761 -178.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -100.9 -44.78 5.65 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.568 0.747 . . . . 75.299999999999997 110.745 -174.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.505 ' HA2' ' H ' ' A' ' 41' ' ' CYS . . . 95.21 -86.07 0.98 Allowed Glycine 0 C--N 1.345 1.065 0 N-CA-C 110.552 -1.019 . . . . 51.329999999999998 110.552 -175.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.1 t70 57.54 -81.96 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 124.707 1.203 . . . . 71.409999999999997 113.891 169.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.1 t -57.74 94.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.212 0 C-N-CA 124.867 1.267 . . . . 73.099999999999994 110.385 -175.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -80.77 -33.05 35.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.263 1.025 . . . . 74.129999999999995 111.268 -171.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -72.99 -24.36 60.75 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.282 0.845 . . . . 74.349999999999994 113.282 -177.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.1 m -109.04 9.13 26.4 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 118.145 0.429 . . . . 72.209999999999994 110.179 175.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 53.6 ttm -78.08 102.05 7.28 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 123.502 0.721 . . . . 75.400000000000006 109.271 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.7 mt -85.16 137.75 32.82 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.154 0.982 . . . . 74.430000000000007 108.974 176.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -118.14 112.82 20.68 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 106.756 -1.572 . . . . 74.140000000000001 106.756 173.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.513 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 49.5 t -60.37 113.29 2.32 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 123.949 0.781 . . . . 71.319999999999993 109.959 174.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -80.82 -6.21 58.26 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 121.297 0.57 . . . . 75.129999999999995 110.595 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.463 ' O ' ' SG ' ' A' ' 59' ' ' CYS . . . -113.69 30.53 7.14 Favored Glycine 0 C--N 1.346 1.133 0 CA-C-N 115.652 -0.704 . . . . 74.319999999999993 113.815 175.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 85.1 m -165.98 -34.14 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.642 0.777 . . . . 75.439999999999998 110.565 176.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 63.09 70.68 0.54 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.823 1.249 . . . . 70.239999999999995 109.888 -167.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -144.99 139.98 27.86 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 107.547 -1.279 . . . . 74.140000000000001 107.547 172.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.8 p -104.74 124.97 50.33 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.86 0.864 . . . . 75.030000000000001 110.924 -173.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -129.25 -178.43 4.65 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.534 1.134 . . . . 73.310000000000002 109.189 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.689 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 34.5 m170 -115.66 161.28 18.9 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.61 -0.723 . . . . 70.400000000000006 109.842 165.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.617 HG23 HG12 ' A' ' 75' ' ' ILE . 19.4 p -63.26 -46.91 84.69 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.734 1.271 . . . . 71.209999999999994 110.859 172.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -79.29 -17.21 55.09 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.985 0.914 . . . . 74.120000000000005 112.99 -175.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.813 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 95.6 m -71.17 -38.47 72.16 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.955 0.502 . . . . 73.150000000000006 111.051 176.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.9 mt -72.18 146.2 47.54 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 124.077 0.86 . . . . 75.430000000000007 110.18 173.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 pp -128.03 129.11 23.72 Favored Pre-proline 0 N--CA 1.481 1.079 0 CA-C-O 119.412 -0.327 . . . . 72.540000000000006 110.573 175.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -70.73 137.29 45.3 Favored 'Cis proline' 0 C--N 1.382 2.317 0 CA-C-N 119.94 1.014 . . . . 64.230000000000004 112.141 -1.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.77 146.62 92.17 Favored 'Trans proline' 0 C--N 1.376 1.982 0 C-N-CA 123.184 2.589 . . . . 73.140000000000001 113.53 -169.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.1 mt -81.59 89.23 6.2 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.19 0.596 . . . . 75.219999999999999 109.522 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.0 p -65.88 -20.98 66.42 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.25 0.62 . . . . 74.450000000000003 111.588 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.2 m -95.67 112.85 24.48 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 107.728 -1.212 . . . . 71.340000000000003 107.728 165.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.617 HG12 HG23 ' A' ' 65' ' ' THR . 35.7 mt -86.88 112.39 46.95 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 123.751 0.82 . . . . 75.129999999999995 109.743 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -57.31 138.69 87.4 Favored 'Trans proline' 0 C--N 1.383 2.357 0 C-N-CA 122.663 2.242 . . . . 74.319999999999993 111.761 172.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -77.12 86.89 3.59 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 122.895 0.478 . . . . 74.349999999999994 109.74 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.36 -75.68 0.81 Allowed Glycine 0 C--N 1.346 1.108 0 CA-C-N 115.28 -0.873 . . . . 72.319999999999993 113.28 177.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -63.02 88.33 0.03 OUTLIER 'General case' 0 C--N 1.351 0.636 0 C-N-CA 124.594 1.157 . . . . 75.219999999999999 109.874 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.413 ' O ' ' HA ' ' A' ' 56' ' ' CYS . 37.1 t90 -106.61 150.8 25.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.966 -1.016 . . . . 73.209999999999994 109.126 174.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.1 mt -113.86 125.71 54.36 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 108.35 -0.981 . . . . 74.299999999999997 108.35 171.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 26.3 p -67.06 164.02 39.55 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 124.054 0.942 . . . . 75.430000000000007 111.547 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -52.36 -26.44 27.68 Favored 'Trans proline' 0 C--N 1.382 2.318 0 C-N-CA 122.642 2.228 . . . . 74.030000000000001 112.503 167.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.584 ' HB2' ' SG ' ' A' ' 82' ' ' CYS . 82.4 mtt-85 -76.43 -19.36 58.16 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.335 1.054 . . . . 74.329999999999998 112.26 177.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.623 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 80.0 m -85.0 -39.77 17.66 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.058 0.543 . . . . 65.239999999999995 110.952 171.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.62 -43.21 83.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 CA-C-N 115.241 -0.89 . . . . 75.329999999999998 111.458 -177.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.7 t -106.64 4.52 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 C-N-CA 123.94 0.896 . . . . 75.420000000000002 110.663 -176.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 59.29 176.88 0.08 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.653 1.181 . . . . 72.319999999999993 112.616 -173.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -79.87 94.03 5.76 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.839 -0.8 . . . . 72.439999999999998 108.839 173.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.4 t -82.03 76.4 1.02 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.691 0 N-CA-C 108.486 -0.931 . . . . 74.340000000000003 108.486 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.6 m -61.53 143.22 56.34 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.056 -0.975 . . . . 74.219999999999999 111.135 -176.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -59.65 109.13 1.71 Allowed Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 123.36 0.664 . . . . 75.209999999999994 110.058 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -79.36 72.66 6.4 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 123.022 2.481 . . . . 74.329999999999998 111.37 -174.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 . . . . . 0 C--O 1.251 1.153 0 CA-C-N 115.089 -0.96 . . . . 73.040000000000006 108.495 -177.66 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.656 'ZN ' ' SG ' ' A' ' 67' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . 0.638 'ZN ' ' SG ' ' A' ' 59' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.4 m . . . . . 0 N--CA 1.486 1.339 0 N-CA-C 111.346 0.128 . . . . 73.099999999999994 111.346 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -75.2 88.94 2.5 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.454 0.701 . . . . 75.25 110.198 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 82.3 mtp -72.04 141.82 49.28 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 109.167 -0.679 . . . . 75.340000000000003 109.167 172.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.7 m -65.71 88.63 0.1 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.079 0.552 . . . . 75.140000000000001 110.433 178.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.9 6.03 62.04 Favored Glycine 0 C--N 1.346 1.102 0 CA-C-N 115.131 -0.94 . . . . 74.439999999999998 113.182 -176.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -77.26 75.1 1.81 Allowed Glycine 0 C--N 1.347 1.181 0 N-CA-C 111.552 -0.619 . . . . 71.120000000000005 111.552 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.5 p -66.41 153.75 92.18 Favored Pre-proline 0 CA--C 1.553 1.082 0 C-N-CA 124.638 1.175 . . . . 71.510000000000005 111.634 -175.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -57.47 102.74 0.12 Allowed 'Trans proline' 0 C--N 1.383 2.355 0 C-N-CA 122.808 2.339 . . . . 73.400000000000006 112.511 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.1 111.97 23.26 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.652 0.781 . . . . 74.540000000000006 110.181 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.34 106.09 7.76 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 107.8 -1.185 . . . . 74.340000000000003 107.8 167.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 m -73.43 79.58 1.4 Allowed 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 108.297 -1.001 . . . . 74.030000000000001 108.297 176.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.32 38.13 2.89 Favored Glycine 0 C--N 1.349 1.261 0 CA-C-N 115.035 -0.984 . . . . 74.219999999999999 112.432 -176.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.7 t -70.41 104.65 2.78 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.861 0.839 . . . . 75.299999999999997 110.013 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.7 p -130.62 135.19 47.63 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 107.789 -1.189 . . . . 74.010000000000005 107.789 172.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.91 22.36 10.3 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.808 0.843 . . . . 74.219999999999999 110.362 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -95.77 23.77 5.95 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.726 1.21 . . . . 75.519999999999996 110.667 -172.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.44 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 14.4 p -63.81 92.92 0.08 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.902 0.881 . . . . 73.340000000000003 111.339 -175.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -93.7 -44.41 8.17 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.442 1.097 . . . . 74.150000000000006 109.657 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.38 -12.81 61.73 Favored Glycine 0 C--N 1.352 1.456 0 CA-C-N 115.484 -0.78 . . . . 62.43 113.76 177.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.44 ' HB2' ' HB ' ' A' ' 17' ' ' THR . . . -83.36 18.32 1.84 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.765 0.826 . . . . 73.209999999999994 112.294 178.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.1 m -62.46 102.03 0.29 Allowed 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 108.877 -0.786 . . . . 74.209999999999994 108.877 169.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.92 4.67 1.91 Allowed 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 114.359 1.244 . . . . 72.239999999999995 114.359 -169.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -67.4 -47.01 71.54 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.781 0.432 . . . . 74.540000000000006 109.849 173.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.561 ' HB3' ' HZ2' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -162.35 97.2 0.99 Allowed 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.187 -0.915 . . . . 71.400000000000006 109.557 175.833 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.72 171.06 14.0 Favored Glycine 0 C--N 1.34 0.787 0 CA-C-N 115.813 -0.63 . . . . 72.140000000000001 111.569 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.13 80.53 1.49 Allowed Glycine 0 C--N 1.337 0.597 0 N-CA-C 111.693 -0.563 . . . . 60.119999999999997 111.693 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -57.04 112.12 4.2 Favored Pre-proline 0 CA--C 1.557 1.228 0 C-N-CA 123.793 0.837 . . . . 74.420000000000002 111.138 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -85.79 145.2 8.9 Favored 'Trans proline' 0 C--N 1.371 1.743 0 C-N-CA 122.299 1.999 . . . . 70.209999999999994 112.987 -174.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -86.32 -157.36 0.08 OUTLIER 'Trans proline' 0 C--N 1.372 1.79 0 C-N-CA 122.843 2.362 . . . . 75.450000000000003 110.108 162.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.64 -16.23 13.29 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 122.135 -0.353 . . . . 70.420000000000002 110.973 171.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.3 mt 74.86 -37.01 0.34 Allowed 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 126.449 1.9 . . . . 72.439999999999998 112.822 -176.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 52.0 mt -69.71 104.61 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 124.025 0.93 . . . . 74.430000000000007 110.071 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.8 t 59.79 45.73 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.132 0 C-N-CA 124.981 1.312 . . . . 75.109999999999999 110.256 -176.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -105.8 105.83 54.49 Favored Pre-proline 0 N--CA 1.471 0.602 0 N-CA-C 108.083 -1.08 . . . . 74.209999999999994 108.083 167.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -66.29 -18.7 55.93 Favored 'Trans proline' 0 C--N 1.376 1.983 0 C-N-CA 123.177 2.585 . . . . 73.329999999999998 112.59 177.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.3 mt 68.28 -69.89 0.14 Allowed 'General case' 0 C--N 1.363 1.153 0 C-N-CA 125.299 1.439 . . . . 71.120000000000005 109.581 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 25.9 ttt -77.26 79.4 3.78 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 122.034 0.921 . . . . 75.319999999999993 109.243 168.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -83.07 -53.88 5.47 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 106.765 -1.568 . . . . 74.109999999999999 106.765 170.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -140.35 -64.47 0.47 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 113.426 -1.715 . . . . 74.340000000000003 108.202 163.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.3 mt 67.2 115.38 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 125.369 1.468 . . . . 75.310000000000002 110.888 -173.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.588 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 30.9 t -79.83 105.95 11.49 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 108.324 -0.991 . . . . 64.200000000000003 108.324 178.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -50.83 -47.51 60.12 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 124.931 1.395 . . . . 75.420000000000002 113.888 -166.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.459 HG13 ' HE1' ' A' ' 63' ' ' TYR . 60.5 mt -60.44 -45.25 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 112.57 0.582 . . . . 71.340000000000003 112.57 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.731 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 30.3 p -101.8 -12.43 18.32 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 112.442 0.534 . . . . 74.420000000000002 112.442 -167.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.5 t30 69.67 -3.97 1.53 Allowed 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.778 1.231 . . . . 74.099999999999994 112.271 -175.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.507 ' HB2' ' HE1' ' A' ' 64' ' ' HIS . 24.1 mmt-85 -76.52 122.09 24.08 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 121.374 -0.829 . . . . 74.450000000000003 109.824 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -118.89 9.08 12.53 Favored Glycine 0 N--CA 1.481 1.678 0 CA-C-O 119.908 -0.384 . . . . 71.329999999999998 113.883 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -93.37 -47.44 6.88 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.313 0.645 . . . . 73.310000000000002 110.898 -175.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 78.7 t -74.81 85.6 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.489 0.661 . . . . 73.439999999999998 110.174 -177.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -77.09 -22.96 51.97 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.824 -0.625 . . . . 64.219999999999999 111.049 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -61.55 -37.1 82.58 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.097 0.959 . . . . 74.219999999999999 113.398 -177.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.5 p -103.8 7.29 37.06 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-N 118.267 0.485 . . . . 74.109999999999999 111.161 176.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 53.4 ttm -85.91 106.65 17.26 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 123.573 0.749 . . . . 75.420000000000002 110.276 -174.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.3 mt -86.32 156.72 20.11 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.785 1.234 . . . . 74.420000000000002 110.061 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.17 138.5 53.57 Favored 'General case' 0 C--O 1.244 0.773 0 N-CA-C 107.036 -1.468 . . . . 72.530000000000001 107.036 175.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 80' ' ' TRP . 52.9 t -71.1 126.48 29.71 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 110.253 -0.277 . . . . 74.019999999999996 110.253 177.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.484 ' HB2' ' HB3' ' A' ' 79' ' ' GLU . 12.5 t70 -60.93 -42.72 98.71 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.188 0.995 . . . . 75.510000000000005 110.987 177.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -97.32 22.97 37.92 Favored Glycine 0 C--N 1.35 1.331 0 CA-C-N 115.348 -0.842 . . . . 74.340000000000003 114.3 -173.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 11.4 p -176.83 -159.7 0.06 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.991 0.916 . . . . 64.219999999999999 109.862 175.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -129.46 103.74 7.07 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 123.8 0.84 . . . . 54.509999999999998 108.895 177.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -167.37 153.82 8.1 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 123.36 0.664 . . . . 64.519999999999996 109.222 169.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.0 p -111.52 126.88 55.44 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.762 0.825 . . . . 63.539999999999999 110.994 -178.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.459 ' HE1' HG13 ' A' ' 43' ' ' ILE . 96.9 m-85 -136.99 138.65 40.76 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.464 1.106 . . . . 74.140000000000001 109.093 176.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.729 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 39.6 m80 -84.84 168.25 15.28 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 110.195 -0.298 . . . . 72.25 110.195 176.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.3 p -60.36 -52.26 66.01 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.206 1.002 . . . . 72.409999999999997 111.326 173.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -72.38 -23.83 61.17 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.047 0.939 . . . . 74.549999999999997 113.14 -176.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.731 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 60.0 m -70.32 -17.92 63.08 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.182 0.593 . . . . 61.350000000000001 112.182 177.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.5 mt -107.01 161.44 14.73 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.939 0.896 . . . . 73.109999999999999 109.674 177.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.452 HD23 ' H ' ' A' ' 69' ' ' LEU . 1.9 pt? -123.45 125.73 26.01 Favored Pre-proline 0 CA--C 1.552 1.043 0 N-CA-C 108.978 -0.749 . . . . 72.430000000000007 108.978 173.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -77.24 138.54 53.97 Favored 'Cis proline' 0 C--N 1.378 2.124 0 C-N-CA 124.356 -1.101 . . . . 75.519999999999996 112.548 5.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -55.41 101.29 0.08 OUTLIER 'Trans proline' 0 C--N 1.383 2.354 0 C-N-CA 123.006 2.471 . . . . 73.349999999999994 110.881 176.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.6 mt -57.35 114.23 2.1 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.621 1.168 . . . . 74.319999999999993 110.703 -169.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 m -64.05 -19.32 65.13 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.205 1.002 . . . . 73.319999999999993 111.666 -175.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.8 m -149.73 173.72 13.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.715 1.206 . . . . 71.340000000000003 109.377 176.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.4 mm -63.7 126.47 89.82 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 123.582 0.753 . . . . 75.439999999999998 109.965 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -70.43 83.27 0.83 Allowed 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 122.84 2.36 . . . . 73.219999999999999 111.454 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.4 tttt 68.53 -70.57 0.13 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.732 1.613 . . . . 73.219999999999999 111.026 -177.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -164.99 -74.76 0.03 OUTLIER Glycine 0 C--N 1.343 0.939 0 N-CA-C 110.223 -1.151 . . . . 73.319999999999993 110.223 173.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.484 ' HB3' ' HB2' ' A' ' 57' ' ' ASP . 6.9 mp0 -84.34 130.17 34.82 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.696 0.798 . . . . 75.0 109.024 175.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.468 ' O ' ' HA ' ' A' ' 56' ' ' CYS . 65.2 t90 -103.53 139.59 38.66 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.664 0.786 . . . . 75.329999999999998 109.871 -179.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.424 HD22 ' HB3' ' A' ' 57' ' ' ASP . 95.3 mt -94.79 128.61 41.64 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.883 0.873 . . . . 73.5 109.719 175.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 31.4 p -67.51 158.17 83.36 Favored Pre-proline 0 N--CA 1.476 0.867 0 CA-C-O 119.166 -0.445 . . . . 73.030000000000001 110.395 174.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -50.68 -31.92 34.13 Favored 'Trans proline' 0 C--N 1.383 2.364 0 C-N-CA 122.961 2.44 . . . . 72.200000000000003 114.16 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.498 ' NH2' ' HB ' ' A' ' 87' ' ' VAL . 6.2 tpm_? -74.78 -30.27 61.39 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.416 0.686 . . . . 63.130000000000003 111.071 177.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 89.9 m -74.61 -33.51 62.62 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.419 0.688 . . . . 74.409999999999997 111.395 175.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.4 t -50.13 -55.85 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.677 0.791 . . . . 74.340000000000003 110.592 173.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.498 ' HB ' ' NH2' ' A' ' 84' ' ' ARG . 22.0 t -91.78 74.51 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.766 0 N-CA-C 108.212 -1.033 . . . . 75.540000000000006 108.212 169.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -63.55 151.78 40.49 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 113.732 -1.576 . . . . 75.120000000000005 110.631 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -79.03 123.52 27.39 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.94 -0.392 . . . . 75.010000000000005 109.94 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 13.9 p -105.25 -34.35 3.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 123.845 0.858 . . . . 72.430000000000007 110.572 -177.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.7 t -125.74 115.51 20.17 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.396 0.678 . . . . 73.340000000000003 110.048 -171.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.0 tttt 72.24 98.48 0.04 OUTLIER Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 125.428 1.491 . . . . 74.019999999999996 111.796 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.23 105.33 0.84 Allowed 'Trans proline' 0 C--N 1.372 1.789 0 C-N-CA 122.164 1.909 . . . . 73.219999999999999 109.772 161.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 . . . . . 0 CA--C 1.549 0.92 0 C-N-CA 124.329 1.052 . . . . 72.349999999999994 110.846 -176.873 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.648 'ZN ' ' SG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 109.549 -0.537 . . . . 72.209999999999994 109.549 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -121.47 152.03 39.58 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.589 -0.893 . . . . 74.209999999999994 108.589 175.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.4 mtt -114.91 70.98 0.75 Allowed 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 108.659 -0.867 . . . . 74.129999999999995 108.659 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.5 t -70.74 94.84 1.06 Allowed 'General case' 0 C--O 1.246 0.892 0 CA-C-N 114.988 -1.006 . . . . 72.099999999999994 109.996 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 156.05 -153.9 25.1 Favored Glycine 0 C--N 1.341 0.86 0 CA-C-N 115.052 -0.976 . . . . 74.25 111.318 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.0 3.96 67.46 Favored Glycine 0 C--N 1.343 0.964 0 CA-C-O 119.922 -0.377 . . . . 65.329999999999998 112.926 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.8 t -78.23 122.09 84.77 Favored Pre-proline 0 C--N 1.352 0.714 0 C-N-CA 123.481 0.712 . . . . 73.519999999999996 109.106 176.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -81.55 56.99 6.18 Favored 'Trans proline' 0 C--N 1.37 1.67 0 C-N-CA 122.461 2.108 . . . . 72.319999999999993 111.239 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.499 ' H ' HD22 ' A' ' 9' ' ' LEU . 2.0 pt? -66.55 82.89 0.1 Allowed 'General case' 0 CA--C 1.553 1.092 0 CA-C-O 122.526 1.155 . . . . 71.030000000000001 111.928 -172.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.55 82.11 1.59 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 114.864 -1.062 . . . . 72.319999999999993 108.368 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -100.56 131.96 46.2 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.391 0.676 . . . . 72.439999999999998 109.393 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.48 60.06 0.01 OUTLIER Glycine 0 C--N 1.343 0.958 0 CA-C-N 115.757 -0.656 . . . . 72.019999999999996 111.525 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.9 p -71.59 88.06 0.93 Allowed 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.326 0.65 . . . . 62.420000000000002 109.764 174.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.3 t -77.73 115.7 17.69 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.705 -0.68 . . . . 74.319999999999993 109.916 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -164.3 155.65 15.79 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 123.795 0.838 . . . . 73.319999999999993 110.67 -177.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.3 p30 -158.77 149.21 19.83 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.023 0.929 . . . . 74.019999999999996 109.985 168.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 t -91.27 125.24 35.98 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 107.852 -1.166 . . . . 74.540000000000006 107.852 171.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -150.79 154.15 36.77 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.812 0.445 . . . . 73.409999999999997 111.211 -172.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 149.58 162.66 10.55 Favored Glycine 0 C--N 1.336 0.54 0 CA-C-N 115.06 -0.973 . . . . 71.030000000000001 110.802 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.15 97.97 1.27 Allowed 'General case' 0 C--O 1.242 0.683 0 C-N-CA 123.202 0.601 . . . . 74.129999999999995 109.582 176.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.9 m -79.77 75.13 6.47 Favored 'General case' 0 C--O 1.243 0.755 0 C-N-CA 123.503 0.721 . . . . 73.239999999999995 109.809 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.63 117.41 11.2 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 107.725 -1.213 . . . . 72.420000000000002 107.725 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -58.21 102.94 0.12 Allowed 'General case' 0 CA--C 1.551 0.995 0 O-C-N 124.112 0.883 . . . . 74.319999999999993 110.098 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -67.8 138.73 56.37 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.16 -0.927 . . . . 74.340000000000003 109.832 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.86 127.27 0.39 Allowed Glycine 0 CA--C 1.536 1.382 0 O-C-N 123.416 0.448 . . . . 72.120000000000005 112.755 -175.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.62 -95.2 0.1 Allowed Glycine 0 C--N 1.337 0.637 0 N-CA-C 110.353 -1.099 . . . . 73.430000000000007 110.353 177.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 63.34 120.68 0.02 OUTLIER Pre-proline 0 N--CA 1.492 1.646 0 C-N-CA 125.062 1.345 . . . . 71.230000000000004 113.709 169.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -62.44 138.89 73.56 Favored 'Trans proline' 0 C--N 1.381 2.288 0 C-N-CA 123.371 2.714 . . . . 75.030000000000001 112.145 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -61.01 107.49 0.46 Allowed 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.97 2.447 . . . . 72.209999999999994 112.017 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 64.64 -171.37 0.18 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.387 1.475 . . . . 73.549999999999997 111.543 -177.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.524 ' H ' HD21 ' A' ' 31' ' ' LEU . 2.7 pt? -95.26 9.63 39.08 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.415 0.686 . . . . 74.450000000000003 111.411 178.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp 61.55 91.96 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.701 1.201 . . . . 73.450000000000003 108.349 -167.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.1 m -76.3 -27.09 17.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 115.275 -0.875 . . . . 75.239999999999995 111.749 -172.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -161.67 120.68 1.45 Allowed Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 116.115 -0.493 . . . . 71.430000000000007 111.318 -172.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -106.66 -3.88 0.13 Allowed 'Trans proline' 0 CA--C 1.564 2.009 0 C-N-CA 123.526 2.817 . . . . 74.310000000000002 115.214 166.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.7 mt -119.77 -7.41 10.03 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 113.615 0.969 . . . . 75.120000000000005 113.615 -166.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.6 tmm? 69.3 79.51 0.2 Allowed 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.079 1.352 . . . . 64.0 108.95 -170.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -90.9 51.37 1.95 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.685 0.794 . . . . 75.420000000000002 109.594 177.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 55.76 71.32 0.56 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.414 1.086 . . . . 75.430000000000007 111.117 178.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.5 mt -117.24 149.31 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.541 1.137 . . . . 70.400000000000006 109.85 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.588 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 53.5 t -62.17 115.68 4.34 Favored 'General case' 0 C--N 1.359 1.022 0 C-N-CA 123.803 0.841 . . . . 73.219999999999999 109.508 178.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -65.51 -19.69 66.03 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 124.61 1.194 . . . . 74.140000000000001 111.375 -175.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.2 mt -84.45 -38.91 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 C-N-CA 123.868 0.867 . . . . 74.409999999999997 109.927 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.795 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 53.8 m -88.1 -31.42 19.23 Favored 'General case' 0 C--O 1.252 1.212 0 N-CA-C 113.14 0.793 . . . . 64.230000000000004 113.14 -170.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 76.87 -43.72 0.45 Allowed 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 125.762 1.625 . . . . 75.239999999999995 111.266 -174.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -87.14 140.65 29.34 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.938 0.495 . . . . 75.329999999999998 109.8 170.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -124.45 45.9 1.14 Allowed Glycine 0 N--CA 1.472 1.052 0 CA-C-N 116.354 -0.385 . . . . 71.530000000000001 113.17 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.78 -54.1 40.5 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.355 0.662 . . . . 75.540000000000006 110.513 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.4 t -79.3 77.6 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-O 121.916 0.865 . . . . 75.310000000000002 109.2 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -75.99 -18.16 59.41 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 114.771 -1.104 . . . . 74.120000000000005 110.804 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -58.69 -35.06 72.02 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.106 0.562 . . . . 72.349999999999994 112.329 175.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 m -100.04 15.2 28.07 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.28 0.632 . . . . 72.129999999999995 111.582 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 41.9 tpp -81.72 111.72 18.23 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 109.266 -0.642 . . . . 75.409999999999997 109.266 -177.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 73.6 mt -93.97 130.3 40.13 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.847 -0.798 . . . . 71.349999999999994 108.847 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -100.04 119.06 37.7 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.56 -1.274 . . . . 71.099999999999994 107.56 177.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.462 ' HB3' ' HB2' ' A' ' 59' ' ' CYS . 43.7 t -70.16 106.56 3.33 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 108.966 -0.753 . . . . 64.409999999999997 108.966 174.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -58.43 -31.59 67.89 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.842 1.257 . . . . 74.230000000000004 111.086 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.45 32.47 6.21 Favored Glycine 0 C--N 1.347 1.153 0 CA-C-N 115.4 -0.818 . . . . 73.310000000000002 113.191 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.462 ' HB2' ' HB3' ' A' ' 56' ' ' CYS . 72.8 m -152.22 -91.67 0.05 Allowed 'General case' 0 CA--C 1.562 1.417 0 C-N-CA 123.933 0.893 . . . . 74.209999999999994 110.876 174.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.0 t70 143.27 -26.99 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 126.55 1.94 . . . . 75.219999999999999 108.585 -157.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.86 158.8 33.83 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.667 0.787 . . . . 71.25 110.663 -178.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.2 m -130.33 142.18 50.55 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.748 0.819 . . . . 71.030000000000001 110.379 -177.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -144.11 139.15 28.7 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.769 1.228 . . . . 74.530000000000001 108.788 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.636 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 45.2 m170 -72.55 146.65 46.59 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 118.261 0.482 . . . . 71.400000000000006 110.102 172.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 17.9 p -50.52 -55.64 15.17 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 124.339 1.024 . . . . 74.319999999999993 111.225 172.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -78.24 -12.9 60.03 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.586 -1.188 . . . . 74.310000000000002 113.767 -171.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.795 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 65.9 m -90.32 -21.77 21.87 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.096 0.558 . . . . 73.239999999999995 111.624 -177.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.7 mt -73.92 161.85 29.69 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.514 0.726 . . . . 74.129999999999995 110.076 174.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.1 mt -121.83 123.44 27.41 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 108.923 -0.769 . . . . 64.0 108.923 173.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -73.89 138.97 58.87 Favored 'Cis proline' 0 C--N 1.389 2.669 0 CA-C-N 119.882 0.994 . . . . 72.430000000000007 111.767 -5.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.96 134.84 64.95 Favored 'Trans proline' 0 C--N 1.38 2.187 0 C-N-CA 122.943 2.429 . . . . 73.450000000000003 112.315 -178.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.412 ' O ' ' HB ' ' A' ' 65' ' ' THR . 53.5 mt -86.58 117.63 25.47 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 107.828 -1.175 . . . . 52.310000000000002 107.828 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 m -72.33 -16.64 61.88 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 123.286 0.635 . . . . 73.540000000000006 111.542 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 56.4 p -138.26 148.08 44.33 Favored 'General case' 0 C--O 1.244 0.79 0 C-N-CA 124.16 0.984 . . . . 73.430000000000007 110.171 -173.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.579 HG21 ' H ' ' A' ' 77' ' ' LYS . 70.6 mt -91.58 129.36 43.02 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 124.587 1.155 . . . . 73.409999999999997 109.079 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.46 -5.91 16.3 Favored 'Trans proline' 0 C--N 1.384 2.436 0 C-N-CA 123.085 2.523 . . . . 63.329999999999998 113.956 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.579 ' H ' HG21 ' A' ' 75' ' ' ILE . 97.1 mttt 53.9 13.66 0.57 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 125.916 1.686 . . . . 65.519999999999996 115.123 178.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.34 -125.76 0.8 Allowed Glycine 0 C--N 1.342 0.907 0 CA-C-O 119.187 -0.785 . . . . 73.340000000000003 111.24 -178.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -63.79 101.52 0.37 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.663 0.785 . . . . 64.450000000000003 111.319 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -112.32 143.03 44.1 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 107.834 -1.173 . . . . 75.129999999999995 107.834 169.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.9 mt -118.34 134.56 54.94 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.813 -0.81 . . . . 72.310000000000002 108.813 177.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.432 ' SG ' ' HB3' ' A' ' 84' ' ' ARG . 28.1 p -67.23 157.07 86.51 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 123.51 0.724 . . . . 63.210000000000001 110.64 175.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.407 ' O ' HG23 ' A' ' 87' ' ' VAL . 81.8 Cg_exo -50.21 -32.7 33.41 Favored 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 122.649 2.233 . . . . 75.5 113.171 172.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.432 ' HB3' ' SG ' ' A' ' 82' ' ' CYS . 57.2 ttm-85 -62.21 -37.49 85.52 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.996 0.918 . . . . 74.019999999999996 111.521 177.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 78.5 m -64.53 -32.21 73.76 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 120.99 0.424 . . . . 73.430000000000007 111.686 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.6 t -76.66 -37.03 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 CA-C-N 115.341 -0.845 . . . . 74.329999999999998 110.613 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 83' ' ' PRO . 86.9 t -63.74 -51.3 71.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 123.454 0.701 . . . . 64.310000000000002 111.118 177.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.93 -14.84 62.91 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 116.044 -0.525 . . . . 72.200000000000003 111.319 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 77.99 143.43 0.08 Allowed 'General case' 0 C--N 1.361 1.1 0 C-N-CA 125.933 1.693 . . . . 71.430000000000007 110.833 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 44.7 t -78.73 121.48 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 108.337 -0.986 . . . . 74.109999999999999 108.337 173.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.1 t -62.72 117.2 5.97 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 123.705 0.628 . . . . 75.209999999999994 111.213 -174.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.468 ' HZ2' ' HB2' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -148.26 155.05 42.96 Favored Pre-proline 0 N--CA 1.475 0.786 0 C-N-CA 124.059 0.944 . . . . 74.430000000000007 109.816 178.436 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.05 155.4 69.78 Favored 'Trans proline' 0 C--N 1.369 1.623 0 C-N-CA 121.894 1.73 . . . . 71.510000000000005 111.774 169.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.583 -0.735 . . . . 71.120000000000005 109.184 176.361 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.636 'ZN ' ' SG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 110.074 -0.343 . . . . 71.140000000000001 110.074 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -76.62 87.27 3.29 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.12 0.568 . . . . 74.150000000000006 110.216 176.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 46.3 ttp -94.85 10.58 34.76 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 124.021 0.928 . . . . 75.129999999999995 110.023 174.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.3 m -70.91 86.11 0.7 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.111 0.964 . . . . 73.129999999999995 110.808 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 168.19 -149.18 13.7 Favored Glycine 0 N--CA 1.465 0.571 0 N-CA-C 110.993 -0.843 . . . . 54.109999999999999 110.993 -176.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.19 32.35 83.83 Favored Glycine 0 C--N 1.35 1.336 0 C-N-CA 122.906 0.288 . . . . 51.409999999999997 112.753 -177.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.9 p -104.64 96.08 9.8 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 123.993 0.917 . . . . 73.430000000000007 109.259 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -73.15 87.56 1.03 Allowed 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 123.136 2.557 . . . . 71.530000000000001 112.699 -173.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 pp -96.16 126.45 41.39 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.352 0.661 . . . . 73.150000000000006 109.378 174.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.17 159.72 7.56 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.659 0.784 . . . . 64.010000000000005 109.973 177.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 t -164.08 167.08 20.72 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.816 0.846 . . . . 75.420000000000002 109.891 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.51 135.24 8.75 Favored Glycine 0 C--N 1.342 0.91 0 N-CA-C 111.941 -0.464 . . . . 74.420000000000002 111.941 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 t -135.3 158.77 43.51 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.785 0.834 . . . . 70.239999999999995 110.274 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.6 m -134.54 76.98 1.67 Allowed 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 107.51 -1.293 . . . . 75.519999999999996 107.51 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -152.06 85.43 1.28 Allowed 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.965 -0.561 . . . . 72.129999999999995 110.868 -175.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -157.24 12.04 0.22 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.878 0.871 . . . . 75.510000000000005 110.751 174.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.4 m -79.12 117.52 20.24 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.718 0.807 . . . . 74.299999999999997 110.114 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -161.15 155.02 22.32 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.217 1.007 . . . . 72.150000000000006 109.854 -175.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.46 119.13 3.11 Favored Glycine 0 N--CA 1.475 1.241 0 CA-C-O 119.75 -0.472 . . . . 63.210000000000001 112.954 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.1 101.81 1.26 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.097 0.959 . . . . 75.540000000000006 109.482 176.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.8 t -156.23 114.55 3.36 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.044 0.538 . . . . 75.209999999999994 110.594 -177.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -163.0 92.36 0.76 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.129 0.972 . . . . 75.319999999999993 108.736 167.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -144.57 148.14 34.04 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.231 1.012 . . . . 74.349999999999994 109.463 173.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? -165.65 -171.24 2.03 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.641 1.176 . . . . 72.120000000000005 109.738 173.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.08 107.46 0.86 Allowed Glycine 0 C--N 1.348 1.202 0 N-CA-C 111.726 -0.55 . . . . 74.129999999999995 111.726 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.5 68.13 0.04 OUTLIER Glycine 0 C--N 1.339 0.744 0 N-CA-C 111.295 -0.722 . . . . 51.109999999999999 111.295 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -103.58 96.06 8.23 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 123.852 0.861 . . . . 72.219999999999999 108.888 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -83.16 145.01 12.06 Favored 'Trans proline' 0 C--N 1.371 1.715 0 C-N-CA 122.325 2.017 . . . . 75.010000000000005 112.287 -176.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.55 89.45 0.1 OUTLIER 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.204 1.936 . . . . 73.310000000000002 109.828 163.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.15 79.19 3.68 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.936 0.894 . . . . 64.099999999999994 111.455 -168.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.4 mt 58.57 100.53 0.02 OUTLIER 'General case' 0 C--N 1.363 1.153 0 C-N-CA 125.548 1.539 . . . . 75.310000000000002 111.261 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mp -74.66 81.86 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 N-CA-C 108.235 -1.024 . . . . 70.200000000000003 108.235 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.6 m -119.86 12.19 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.161 1.384 . . . . 71.25 108.903 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -137.46 40.88 0.49 Allowed Pre-proline 0 CA--C 1.567 1.632 0 C-N-CA 124.413 1.085 . . . . 64.540000000000006 111.734 -176.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -73.76 -13.93 24.36 Favored 'Trans proline' 0 C--N 1.396 3.027 0 C-N-CA 122.022 1.815 . . . . 74.430000000000007 113.533 -171.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tt -137.13 73.68 1.45 Allowed 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 107.842 -1.169 . . . . 73.049999999999997 107.842 177.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.2 ptp -176.85 -175.02 0.58 Allowed 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.788 1.235 . . . . 73.329999999999998 108.819 174.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp 56.55 67.98 0.92 Allowed 'General case' 0 C--N 1.361 1.075 0 N-CA-C 108.264 -1.013 . . . . 74.430000000000007 108.264 -174.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -57.88 99.89 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 114.196 -1.365 . . . . 74.540000000000006 112.818 -164.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.7 mt -73.11 131.69 34.51 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 CA-C-N 114.677 -1.147 . . . . 73.400000000000006 109.227 177.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.461 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 48.1 t -71.72 131.25 42.86 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 108.909 -0.774 . . . . 72.329999999999998 108.909 175.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -75.83 -9.21 58.41 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 122.676 0.39 . . . . 72.329999999999998 111.472 -175.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.8 mt -113.6 -44.59 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 123.668 0.787 . . . . 73.319999999999993 110.143 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 34.0 m -96.37 -27.43 14.94 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.431 0.692 . . . . 60.130000000000003 112.493 -171.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 75.55 -54.67 0.63 Allowed 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 125.547 1.539 . . . . 73.430000000000007 111.648 -169.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -90.84 116.9 29.03 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.149 0.58 . . . . 74.019999999999996 109.974 -172.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.81 72.7 1.41 Allowed Glycine 0 C--N 1.34 0.754 0 CA-C-N 116.032 -0.531 . . . . 72.129999999999995 112.315 177.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.89 -59.43 4.19 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.513 0.725 . . . . 73.140000000000001 109.319 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.4 t -88.02 84.1 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 115.021 -0.991 . . . . 73.099999999999994 108.563 172.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.29 -18.22 63.11 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 115.608 -0.723 . . . . 74.510000000000005 110.235 176.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -61.84 -36.39 81.03 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.093 0.957 . . . . 75.420000000000002 110.97 178.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.0 m -96.39 1.39 51.7 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.277 0.631 . . . . 73.109999999999999 110.888 -177.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 47.0 ttm -79.63 106.58 11.76 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 121.008 0.433 . . . . 70.109999999999999 110.008 -177.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.569 ' HB3' ' HB3' ' A' ' 80' ' ' TRP . 23.3 mt -86.22 135.77 33.44 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 125.226 1.41 . . . . 72.409999999999997 109.439 175.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -102.58 123.69 46.77 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.309 0.644 . . . . 74.549999999999997 110.393 -177.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 59' ' ' CYS . 42.2 t -76.64 107.08 8.68 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 123.743 0.652 . . . . 73.430000000000007 109.74 175.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -54.61 -44.8 73.42 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.232 1.013 . . . . 74.519999999999996 111.118 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.22 42.91 1.82 Allowed Glycine 0 C--N 1.342 0.907 0 CA-C-N 115.577 -0.738 . . . . 64.230000000000004 113.455 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.634 ' SG ' 'ZN ' ' A' ' 102' ' ' ' ZN' . 87.4 m -157.18 -169.87 3.08 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.68 1.192 . . . . 65.219999999999999 108.628 169.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -108.67 4.41 23.83 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.396 1.078 . . . . 74.409999999999997 109.363 174.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.41 150.35 21.12 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 124.262 1.025 . . . . 75.409999999999997 111.246 -163.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.0 m -128.05 133.6 49.1 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.139 0.975 . . . . 74.329999999999998 108.718 173.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.434 ' HB2' ' HZ3' ' A' ' 80' ' ' TRP . 44.1 m-85 -127.26 151.71 48.37 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 107.847 -1.168 . . . . 73.450000000000003 107.847 178.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.513 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 43.1 m80 -89.69 161.93 15.84 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 107.879 -1.156 . . . . 75.540000000000006 107.879 170.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.589 HG21 HG12 ' A' ' 75' ' ' ILE . 42.2 p -59.56 -34.53 72.79 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 121.456 0.646 . . . . 72.340000000000003 110.066 175.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -105.24 30.82 5.32 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.02 0.928 . . . . 75.230000000000004 111.782 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.513 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 49.1 m -96.0 -4.86 42.41 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.257 0.623 . . . . 73.040000000000006 110.816 170.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.8 mt -111.13 162.24 15.12 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.211 0.604 . . . . 73.140000000000001 110.808 -170.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.8 mt -130.1 111.25 16.94 Favored Pre-proline 0 CA--C 1.558 1.278 0 C-N-CA 124.094 0.958 . . . . 72.319999999999993 109.468 176.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.61 147.19 88.76 Favored 'Cis proline' 0 C--N 1.375 1.946 0 CA-C-N 120.068 1.06 . . . . 71.200000000000003 111.701 -5.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.31 152.83 61.52 Favored 'Trans proline' 0 C--N 1.369 1.638 0 C-N-CA 122.969 2.446 . . . . 61.520000000000003 112.79 -173.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.433 ' O ' ' HB ' ' A' ' 65' ' ' THR . 51.2 mt -73.81 87.12 1.73 Allowed 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 108.612 -0.884 . . . . 72.25 108.612 172.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.4 p -65.76 -23.98 66.85 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.914 0.886 . . . . 72.150000000000006 110.98 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.2 m -104.79 132.48 50.98 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 124.009 0.924 . . . . 72.219999999999999 108.671 167.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.589 HG12 HG21 ' A' ' 65' ' ' THR . 55.9 mt -72.56 127.18 90.31 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 123.296 0.638 . . . . 74.340000000000003 109.376 174.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -66.4 -166.13 0.1 Allowed 'Trans proline' 0 C--N 1.374 1.9 0 C-N-CA 123.13 2.553 . . . . 71.409999999999997 113.753 177.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -82.16 79.74 8.57 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.58 0.752 . . . . 72.420000000000002 110.825 -171.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.36 -108.16 2.32 Favored Glycine 0 C--N 1.35 1.311 0 N-CA-C 111.871 -0.492 . . . . 64.010000000000005 111.871 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -76.71 156.68 32.32 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.296 0.638 . . . . 73.239999999999995 109.311 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.569 ' HB3' ' HB3' ' A' ' 54' ' ' LEU . 43.8 t90 -149.23 131.61 15.63 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.362 0.665 . . . . 73.430000000000007 110.02 -170.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.9 mt -76.19 133.51 40.15 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.322 0.649 . . . . 75.420000000000002 110.097 176.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 26.8 p -55.71 151.04 23.89 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 123.745 0.818 . . . . 75.420000000000002 110.611 174.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.451 ' O ' HG22 ' A' ' 87' ' ' VAL . 31.2 Cg_exo -58.75 -27.29 83.14 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.761 2.308 . . . . 73.409999999999997 112.213 -176.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -62.99 -38.34 90.78 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.978 1.311 . . . . 75.450000000000003 111.257 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 78.0 m -68.14 -35.05 77.46 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 123.257 0.623 . . . . 70.530000000000001 110.902 174.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.4 t -74.94 -34.65 33.32 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 C-N-CA 123.414 0.685 . . . . 75.540000000000006 111.047 -175.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 83' ' ' PRO . 99.1 t -62.31 -37.81 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 C-N-CA 123.625 0.77 . . . . 63.210000000000001 110.145 175.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -84.57 146.56 27.47 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.32 -0.855 . . . . 74.219999999999999 110.976 177.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -73.23 172.96 10.16 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.375 0.67 . . . . 74.340000000000003 111.162 174.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 39.3 t 54.99 75.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.904 0 C-N-CA 124.81 1.244 . . . . 63.0 108.984 -168.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.8 t -154.6 176.72 12.06 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.557 -0.747 . . . . 72.430000000000007 110.081 -174.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -118.14 90.86 38.81 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 123.938 0.895 . . . . 75.340000000000003 109.138 176.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -92.68 -161.69 0.09 OUTLIER 'Trans proline' 0 C--N 1.37 1.68 0 C-N-CA 123.277 2.651 . . . . 73.310000000000002 111.149 170.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 123.383 0.673 . . . . 65.450000000000003 109.412 178.636 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . 0.635 'ZN ' ' SG ' ' A' ' 85' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.2 m . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 110.377 -0.231 . . . . 62.350000000000001 110.377 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -64.53 113.31 3.61 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 123.222 0.609 . . . . 74.519999999999996 110.195 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 67.2 mtm -90.38 168.19 12.06 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.592 0.757 . . . . 71.340000000000003 109.783 173.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.0 m -73.5 72.31 1.37 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.777 0.831 . . . . 74.299999999999997 110.607 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.31 -82.54 0.19 Allowed Glycine 0 C--N 1.345 1.038 0 CA-C-N 116.083 -0.508 . . . . 73.319999999999993 113.22 -175.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.5 -136.87 12.93 Favored Glycine 0 C--N 1.34 0.8 0 N-CA-C 111.011 -0.835 . . . . 74.239999999999995 111.011 -173.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.9 p -169.95 144.56 2.27 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 123.417 0.687 . . . . 75.230000000000004 110.006 176.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.72 -156.16 0.05 OUTLIER 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.922 2.414 . . . . 74.019999999999996 112.644 175.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 pp -143.0 179.31 7.11 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.201 0.6 . . . . 75.120000000000005 110.605 177.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.66 116.81 10.01 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 108.676 -0.861 . . . . 75.409999999999997 108.676 177.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.1 p -88.78 -33.68 17.37 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.102 0.561 . . . . 63.350000000000001 110.541 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.82 57.98 4.83 Favored Glycine 0 C--N 1.348 1.242 0 CA-C-N 115.663 -0.699 . . . . 64.420000000000002 112.901 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.0 t -151.95 111.41 3.94 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 123.903 0.881 . . . . 75.0 109.147 175.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.5 t -127.81 151.95 48.39 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.761 0.825 . . . . 74.209999999999994 109.876 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.19 87.25 3.04 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.532 0.733 . . . . 72.230000000000004 111.276 -173.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -124.88 128.41 48.62 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.103 -0.953 . . . . 74.450000000000003 108.583 170.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t -159.6 158.44 31.64 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.287 0.635 . . . . 74.010000000000005 110.037 -177.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -128.63 96.46 4.4 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.513 0.725 . . . . 74.129999999999995 109.63 176.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -127.25 61.76 0.64 Allowed Glycine 0 C--N 1.344 1.02 0 CA-C-N 115.756 -0.656 . . . . 74.209999999999994 111.518 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.81 136.63 51.02 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.28 0.632 . . . . 75.200000000000003 110.965 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 87.8 p -123.18 162.11 23.17 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.396 0.679 . . . . 72.109999999999999 110.665 -177.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -127.18 91.39 3.31 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.591 0.757 . . . . 75.439999999999998 109.488 176.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -93.88 126.27 38.98 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 109.119 -0.697 . . . . 74.430000000000007 109.119 174.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -100.82 146.09 27.73 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.957 0.503 . . . . 73.150000000000006 110.004 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.01 -73.87 0.71 Allowed Glycine 0 C--N 1.347 1.14 0 O-C-N 124.071 0.857 . . . . 62.549999999999997 112.117 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 60.08 49.01 83.23 Favored Glycine 0 C--N 1.354 1.549 0 N-CA-C 111.756 -0.538 . . . . 74.109999999999999 111.756 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -104.31 103.69 40.3 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 124.332 1.053 . . . . 63.520000000000003 111.197 -169.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -78.29 127.14 8.11 Favored 'Trans proline' 0 C--N 1.369 1.648 0 C-N-CA 122.168 1.912 . . . . 74.319999999999993 109.931 162.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -60.11 164.72 11.85 Favored 'Trans proline' 0 C--N 1.372 1.794 0 C-N-CA 122.567 2.178 . . . . 71.019999999999996 113.015 174.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.45 172.12 1.26 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.466 0.707 . . . . 74.409999999999997 112.386 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.7 mt -71.9 -165.32 0.16 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.188 0.595 . . . . 74.549999999999997 111.367 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.1 mt 66.88 29.4 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 CA-C-O 122.58 1.181 . . . . 74.230000000000004 108.92 -172.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.8 m -92.07 61.47 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 115.089 -0.96 . . . . 74.409999999999997 109.274 176.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -126.62 86.13 59.12 Favored Pre-proline 0 CA--C 1.548 0.882 0 CA-C-N 115.037 -0.983 . . . . 63.020000000000003 110.046 -173.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -85.73 -25.21 1.61 Allowed 'Trans proline' 0 C--N 1.368 1.592 0 C-N-CA 122.529 2.153 . . . . 75.340000000000003 112.717 175.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.4 tp -93.09 -13.13 28.94 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.977 0.911 . . . . 75.150000000000006 111.04 -174.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.3 tpt -78.59 0.35 26.67 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 123.218 0.607 . . . . 75.430000000000007 111.281 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -63.98 130.99 46.25 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.746 -0.596 . . . . 75.239999999999995 109.61 172.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -58.82 104.83 0.26 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.805 0.842 . . . . 74.019999999999996 113.042 -167.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.9 mm -93.15 148.43 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.672 1.189 . . . . 74.310000000000002 109.693 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 23.1 t -73.65 109.22 6.99 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 107.854 -1.165 . . . . 73.430000000000007 107.854 169.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -54.26 -49.31 69.84 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 124.528 1.142 . . . . 63.420000000000002 111.369 -170.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 62.0 mt -58.27 -34.54 50.29 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.426 0 C-N-CA 124.479 1.112 . . . . 75.430000000000007 112.563 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 94.8 m -85.42 -33.21 21.98 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-O 119.115 -0.469 . . . . 65.120000000000005 111.783 -177.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.5 t30 65.32 14.51 9.47 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 124.784 1.302 . . . . 61.020000000000003 110.456 -166.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -130.11 146.64 51.78 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 125.272 1.429 . . . . 75.549999999999997 109.806 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -118.39 30.33 6.04 Favored Glycine 0 N--CA 1.467 0.75 0 CA-C-N 115.755 -0.657 . . . . 63.310000000000002 111.494 171.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.2 -55.14 20.24 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.069 0.948 . . . . 73.329999999999998 110.3 -174.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.6 t -97.34 65.55 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 CA-C-O 121.836 0.827 . . . . 74.129999999999995 108.896 176.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 53' ' ' MET . 8.8 pt-20 -71.07 -19.36 62.49 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 115.478 -0.783 . . . . 72.450000000000003 112.11 -177.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.88 -28.9 70.35 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 120.992 0.425 . . . . 74.319999999999993 111.09 175.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.3 t -105.02 17.24 24.47 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.524 -0.762 . . . . 71.329999999999998 111.837 -174.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.565 ' HA ' ' HA ' ' A' ' 64' ' ' HIS . 16.5 ptp -98.2 133.14 43.04 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 121.129 0.49 . . . . 74.129999999999995 109.714 170.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.5 mp -105.68 139.0 40.93 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 107.296 -1.372 . . . . 54.140000000000001 107.296 172.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 45.6 tp -101.18 121.15 41.33 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 108.345 -0.983 . . . . 73.450000000000003 108.345 -178.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.407 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 43.4 t -63.05 115.76 4.72 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 123.618 0.767 . . . . 63.310000000000002 111.083 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.94 -27.42 65.72 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.517 0.727 . . . . 64.319999999999993 110.374 175.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.11 2.0 77.72 Favored Glycine 0 CA--C 1.54 1.594 0 N-CA-C 114.962 0.745 . . . . 41.530000000000001 114.962 178.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 56' ' ' CYS . 27.6 p -160.04 -155.31 0.43 Allowed 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.976 0.91 . . . . 63.450000000000003 109.732 176.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -108.04 -14.37 14.75 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.65 0.78 . . . . 71.450000000000003 111.516 -177.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -87.88 145.56 26.0 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 112.687 0.625 . . . . 71.140000000000001 112.687 -163.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.8 t -102.12 132.63 47.89 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.422 1.089 . . . . 74.329999999999998 109.963 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -132.42 132.44 42.79 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.803 0.841 . . . . 74.140000000000001 109.368 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.776 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 30.9 m170 -67.71 161.35 26.14 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 117.922 0.328 . . . . 73.239999999999995 110.597 170.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.6 p -52.5 -56.77 12.85 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 124.558 1.161 . . . . 64.540000000000006 110.799 169.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.55 ' HA ' ' HB3' ' A' ' 71' ' ' PRO . 32.0 p90 -77.2 -10.66 59.55 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 114.228 -1.351 . . . . 74.230000000000004 113.485 -172.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 92.4 m -78.67 -16.4 57.34 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.235 0.614 . . . . 74.040000000000006 112.514 178.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 70.3 mt -104.77 159.17 16.0 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.443 0.697 . . . . 74.209999999999994 111.103 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mp -113.75 114.82 46.76 Favored Pre-proline 0 CA--C 1.548 0.898 0 N-CA-C 107.915 -1.143 . . . . 74.019999999999996 107.915 172.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -80.0 147.94 77.83 Favored 'Cis proline' 0 C--N 1.378 2.103 0 CA-C-N 120.213 1.112 . . . . 74.099999999999994 112.845 0.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.55 ' HB3' ' HA ' ' A' ' 66' ' ' PHE . 54.2 Cg_exo -56.49 122.4 11.73 Favored 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 122.471 2.114 . . . . 74.450000000000003 111.446 174.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.1 mt -75.43 81.6 2.49 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.265 0.626 . . . . 73.420000000000002 109.934 -172.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.3 m -64.32 -28.84 69.99 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-O 121.704 0.764 . . . . 73.450000000000003 110.458 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.7 p -115.16 141.25 48.27 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 124.573 1.149 . . . . 73.099999999999994 108.727 169.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.2 mt -73.52 114.77 34.99 Favored Pre-proline 0 CA--C 1.55 0.95 0 N-CA-C 108.17 -1.048 . . . . 74.019999999999996 108.17 171.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.04 101.01 0.32 Allowed 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.424 2.083 . . . . 74.010000000000005 111.996 -177.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.4 tptt 69.48 -73.7 0.09 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.824 1.65 . . . . 74.549999999999997 110.625 177.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -170.37 -77.93 0.04 OUTLIER Glycine 0 C--O 1.242 0.644 0 N-CA-C 109.771 -1.332 . . . . 55.130000000000003 109.771 173.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -64.12 144.47 57.09 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.945 0.898 . . . . 72.109999999999999 109.506 170.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -138.74 143.75 39.17 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.591 0.71 . . . . 63.32 111.478 -171.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.4 mt -114.87 132.39 56.53 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 125.227 1.411 . . . . 75.120000000000005 108.09 173.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 31.6 p -68.35 139.76 92.32 Favored Pre-proline 0 N--CA 1.471 0.623 0 CA-C-O 118.628 -0.701 . . . . 62.140000000000001 109.819 176.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.401 ' O ' HG23 ' A' ' 87' ' ' VAL . 70.3 Cg_exo -45.06 -31.09 5.3 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 124.081 3.187 . . . . 70.200000000000003 114.075 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -62.99 -48.49 78.61 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.266 1.027 . . . . 74.340000000000003 111.194 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 62.1 m -71.77 -27.32 62.88 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.696 0.798 . . . . 72.230000000000004 111.473 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.4 t -70.05 -22.96 24.82 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 C-N-CA 123.847 0.859 . . . . 75.040000000000006 111.073 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 83' ' ' PRO . 93.4 t -64.68 -38.45 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 122.956 0.502 . . . . 71.230000000000004 111.956 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -59.23 135.77 57.75 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 123.796 0.685 . . . . 75.439999999999998 112.252 -176.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.1 101.99 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 125.605 1.562 . . . . 72.030000000000001 111.455 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 61.5 t -69.63 -63.91 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 C-N-CA 122.716 0.407 . . . . 72.519999999999996 110.92 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.5 p -171.55 137.32 1.04 Allowed 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 112.214 0.45 . . . . 52.229999999999997 112.214 -174.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -132.2 134.62 25.26 Favored Pre-proline 0 N--CA 1.489 1.477 0 C-N-CA 124.717 1.207 . . . . 73.5 108.607 172.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.4 104.22 0.5 Allowed 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.549 2.166 . . . . 74.120000000000005 111.448 174.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 . . . . . 0 C--O 1.252 1.233 0 C-N-CA 123.423 0.689 . . . . 54.420000000000002 109.968 -167.507 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.646 'ZN ' ' SG ' ' A' ' 67' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 110.586 -0.153 . . . . 73.329999999999998 110.586 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 48.6 p-80 -94.29 130.73 40.45 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 109.23 -0.655 . . . . 75.120000000000005 109.23 175.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 47.9 ttp -79.15 75.1 5.7 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.228 0.611 . . . . 75.549999999999997 109.563 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.0 m 62.27 119.23 0.02 OUTLIER 'General case' 0 C--N 1.361 1.071 0 C-N-CA 125.002 1.321 . . . . 74.25 111.723 -175.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.92 -30.24 77.46 Favored Glycine 0 C--N 1.346 1.132 0 CA-C-N 116.637 -0.256 . . . . 61.43 113.605 -177.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -167.53 70.02 0.17 Allowed Glycine 0 C--N 1.341 0.815 0 N-CA-C 110.649 -0.98 . . . . 74.319999999999993 110.649 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.7 t -56.1 116.31 12.13 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 124.396 1.078 . . . . 70.420000000000002 110.46 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.12 115.92 2.91 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.716 2.277 . . . . 72.5 113.482 -174.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.476 HD22 ' HB ' ' A' ' 11' ' ' THR . 2.3 tt -70.56 118.03 12.84 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.096 0.958 . . . . 75.129999999999995 108.499 177.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.46 90.87 3.29 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 109.01 -0.737 . . . . 65.239999999999995 109.01 176.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.476 ' HB ' HD22 ' A' ' 9' ' ' LEU . 7.0 t -120.31 121.9 39.65 Favored 'General case' 0 CA--C 1.548 0.865 0 CA-C-N 115.369 -0.832 . . . . 71.519999999999996 109.874 -175.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.76 111.58 0.49 Allowed Glycine 0 C--N 1.339 0.719 0 N-CA-C 110.88 -0.888 . . . . 72.230000000000004 110.88 -178.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.4 t -115.84 153.39 31.57 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.636 0.774 . . . . 74.409999999999997 110.595 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.2 p -125.86 148.19 49.24 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 124.279 1.032 . . . . 70.019999999999996 109.136 175.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.68 -70.73 0.54 Allowed 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 109.41 -0.589 . . . . 74.420000000000002 109.41 172.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 49.45 73.86 0.22 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.908 1.283 . . . . 75.0 111.427 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.2 t -160.71 163.61 32.26 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 122.863 0.465 . . . . 71.340000000000003 110.876 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 66.6 11.36 8.08 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.978 1.311 . . . . 73.239999999999995 111.875 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.17 56.32 4.78 Favored Glycine 0 C--N 1.346 1.104 0 C-N-CA 122.884 0.278 . . . . 63.240000000000002 112.731 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -160.18 128.95 4.9 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.173 0.989 . . . . 74.120000000000005 108.939 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.5 t -163.38 -82.23 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 108.725 -0.843 . . . . 75.349999999999994 108.725 175.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 62.79 117.48 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 124.908 1.283 . . . . 75.120000000000005 112.577 177.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -64.86 119.65 11.06 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.075 0.95 . . . . 75.439999999999998 112.245 -177.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -93.04 103.27 15.59 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.145 -0.687 . . . . 74.239999999999995 109.145 169.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.7 150.88 35.09 Favored Glycine 0 C--N 1.344 1.006 0 N-CA-C 110.801 -0.92 . . . . 71.239999999999995 110.801 168.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -141.04 133.71 5.99 Favored Glycine 0 C--N 1.337 0.634 0 CA-C-N 117.138 0.469 . . . . 73.230000000000004 112.33 -177.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -155.26 97.48 2.41 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 124.099 0.96 . . . . 65.150000000000006 108.568 174.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -58.15 117.0 3.64 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 123.087 2.525 . . . . 73.409999999999997 112.183 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.49 88.87 0.08 OUTLIER 'Trans proline' 0 C--N 1.384 2.418 0 C-N-CA 122.98 2.454 . . . . 65.019999999999996 112.269 176.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.45 22.0 12.7 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 114.872 -1.058 . . . . 75.340000000000003 111.059 -175.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 70.3 mt -85.77 93.09 8.79 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.082 0.553 . . . . 73.299999999999997 110.136 -177.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mp 55.48 80.32 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 125.178 1.391 . . . . 75.329999999999998 109.757 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -83.79 81.32 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 107.391 -1.336 . . . . 64.400000000000006 107.391 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -170.71 138.09 1.25 Allowed Pre-proline 0 CA--C 1.546 0.793 0 CA-C-N 113.879 -1.509 . . . . 72.409999999999997 108.934 -168.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -48.79 -71.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.385 2.484 0 C-N-CA 123.809 3.006 . . . . 73.540000000000006 113.709 175.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.2 tp -170.08 18.26 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.822 0.849 . . . . 73.319999999999993 110.302 173.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 52.7 ttm -60.45 -27.58 67.63 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.056 0.542 . . . . 73.439999999999998 110.296 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.95 84.2 4.24 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 108.96 -0.756 . . . . 75.510000000000005 108.96 168.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -84.72 93.61 8.48 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.102 -1.073 . . . . 71.430000000000007 108.102 170.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.2 mm -108.73 143.94 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 124.825 1.25 . . . . 75.329999999999998 109.102 -178.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.704 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 41.0 t -67.19 97.42 0.53 Allowed 'General case' 0 C--N 1.351 0.666 0 N-CA-C 107.586 -1.264 . . . . 73.450000000000003 107.586 171.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -51.39 -39.51 57.35 Favored 'General case' 0 C--O 1.248 1.002 0 C-N-CA 125.751 1.62 . . . . 72.120000000000005 112.883 -171.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.3 mt -60.98 -47.24 94.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.233 0.613 . . . . 75.120000000000005 111.357 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.635 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 62.6 m -89.2 -23.9 22.28 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 112.277 0.473 . . . . 72.450000000000003 112.277 -168.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 64.4 t30 57.96 33.98 23.79 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.307 1.043 . . . . 75.319999999999993 110.014 -167.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -126.41 132.98 51.39 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.918 0.887 . . . . 74.239999999999995 109.489 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.49 ' HA2' ' HE3' ' A' ' 53' ' ' MET . . . -111.41 19.16 24.64 Favored Glycine 0 CA--C 1.526 0.77 0 O-C-N 123.941 0.775 . . . . 61.020000000000003 111.837 170.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.2 -69.53 0.35 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.616 1.166 . . . . 52.509999999999998 110.232 -174.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.9 t -83.38 87.71 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 108.449 -0.945 . . . . 64.430000000000007 108.449 175.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -78.57 -25.43 45.36 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 114.893 -1.049 . . . . 74.019999999999996 111.635 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -59.44 -35.64 74.42 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.219 1.008 . . . . 73.010000000000005 112.807 -173.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.427 ' HA ' HD11 ' A' ' 75' ' ' ILE . 19.7 m -102.48 3.86 38.05 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.183 0.593 . . . . 70.420000000000002 111.214 -176.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.49 ' HE3' ' HA2' ' A' ' 47' ' ' GLY . 45.0 ttm -80.28 121.59 25.84 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 109.104 -0.702 . . . . 75.140000000000001 109.104 -179.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.459 HD23 HG22 ' A' ' 75' ' ' ILE . 87.6 mt -112.77 143.15 44.49 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 124.368 1.067 . . . . 73.019999999999996 109.537 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -100.5 127.86 46.73 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 105.804 -1.925 . . . . 75.230000000000004 105.804 174.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.727 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 50.2 t -68.43 108.91 3.44 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.385 -0.598 . . . . 63.32 109.385 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -61.16 -26.68 67.86 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.263 1.025 . . . . 73.209999999999994 112.382 -171.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -89.58 -16.95 56.04 Favored Glycine 0 C--N 1.346 1.111 0 N-CA-C 114.402 0.521 . . . . 64.010000000000005 114.402 -176.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.727 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 19.8 p -146.22 -159.67 1.05 Allowed 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 117.862 0.831 . . . . 74.200000000000003 111.079 -172.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -116.14 97.69 6.21 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 124.343 1.057 . . . . 75.239999999999995 108.838 175.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -173.61 160.29 3.75 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.97 0.908 . . . . 73.329999999999998 108.881 174.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.6 m -138.73 130.72 28.07 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.269 0.628 . . . . 74.239999999999995 109.945 177.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -130.24 140.43 50.7 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.043 1.337 . . . . 63.350000000000001 108.39 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.67 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 33.4 m170 -72.04 156.5 39.15 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 108.778 -0.823 . . . . 75.329999999999998 108.778 164.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.473 ' HA ' HD11 ' A' ' 72' ' ' LEU . 48.2 p -59.53 -39.92 85.48 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 123.903 0.752 . . . . 63.329999999999998 110.623 171.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -91.74 9.96 30.36 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.94 -1.027 . . . . 75.340000000000003 113.094 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.704 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 67.4 m -78.43 -43.67 26.72 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.272 0.558 . . . . 74.040000000000006 110.077 168.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.8 mt -82.54 138.36 34.3 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.777 -1.101 . . . . 75.120000000000005 109.135 -178.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.33 129.45 25.33 Favored Pre-proline 0 N--CA 1.479 0.999 0 CA-C-O 118.961 -0.542 . . . . 74.310000000000002 110.056 173.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -66.84 140.98 53.12 Favored 'Cis proline' 0 C--N 1.385 2.494 0 CA-C-N 119.935 1.013 . . . . 73.099999999999994 113.231 -1.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.71 148.77 86.52 Favored 'Trans proline' 0 C--N 1.381 2.271 0 C-N-CA 123.323 2.682 . . . . 72.519999999999996 113.768 -174.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 65' ' ' THR . 61.8 mt -68.7 119.47 13.15 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.852 0.861 . . . . 72.040000000000006 109.396 -178.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.8 m -64.65 -38.69 91.87 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 123.961 0.788 . . . . 74.239999999999995 111.925 -170.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.1 m -145.17 148.71 33.86 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.394 0.677 . . . . 72.150000000000006 110.623 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.459 HG22 HD23 ' A' ' 54' ' ' LEU . 57.6 mt -77.98 119.89 79.12 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 115.013 -0.994 . . . . 73.099999999999994 109.203 174.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -84.19 44.0 1.46 Allowed 'Trans proline' 0 C--N 1.372 1.766 0 C-N-CA 123.417 2.745 . . . . 75.420000000000002 111.639 177.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt 63.2 -80.8 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.104 1.362 . . . . 72.239999999999995 111.03 -174.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -154.79 6.02 0.29 Allowed Glycine 0 N--CA 1.468 0.805 0 N-CA-C 110.232 -1.147 . . . . 72.420000000000002 110.232 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -86.74 42.53 1.02 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.137 1.375 . . . . 72.530000000000001 109.871 -178.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 82.3 t90 -118.52 130.57 56.0 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 108.661 -0.866 . . . . 75.310000000000002 108.661 -170.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.5 mt -107.08 138.72 42.73 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 124.434 1.093 . . . . 74.430000000000007 109.337 173.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.432 ' SG ' ' HB2' ' A' ' 84' ' ' ARG . 29.0 p -71.84 153.3 93.13 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 109.162 -0.681 . . . . 74.420000000000002 109.162 171.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.566 ' HG2' HH11 ' A' ' 84' ' ' ARG . 37.8 Cg_endo -61.74 -18.54 61.07 Favored 'Trans proline' 0 C--N 1.371 1.733 0 C-N-CA 122.47 2.113 . . . . 71.329999999999998 112.504 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.566 HH11 ' HG2' ' A' ' 83' ' ' PRO . 6.8 mpt_? -63.63 -53.9 44.2 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.26 1.024 . . . . 75.129999999999995 109.426 174.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.44 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 97.4 m -56.29 -39.4 72.64 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 123.868 0.867 . . . . 61.32 112.049 -177.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 49.1 t -63.12 -43.64 99.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 114.823 -1.08 . . . . 75.109999999999999 110.724 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.6 m -94.2 -20.07 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 N-CA-C 113.185 0.809 . . . . 62.229999999999997 113.185 -172.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -87.42 -39.52 15.18 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 120.885 0.374 . . . . 75.099999999999994 110.291 -177.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -87.67 107.82 18.8 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 108.793 -0.817 . . . . 63.5 108.793 178.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.9 t -87.24 93.56 4.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 107.194 -1.41 . . . . 74.340000000000003 107.194 174.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.7 t -60.97 -57.25 13.41 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.603 0.761 . . . . 70.409999999999997 111.001 -175.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.19 121.43 27.07 Favored Pre-proline 0 CA--C 1.55 0.959 0 N-CA-C 107.721 -1.214 . . . . 74.319999999999993 107.721 171.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -69.35 101.89 0.9 Allowed 'Trans proline' 0 C--N 1.373 1.828 0 C-N-CA 122.815 2.343 . . . . 72.510000000000005 113.301 -175.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 107.35 -1.352 . . . . 75.209999999999994 107.35 174.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.635 'ZN ' ' SG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . 0.625 'ZN ' ' SG ' ' A' ' 59' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.0 p . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 110.614 -0.143 . . . . 73.530000000000001 110.614 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 -69.44 105.93 2.78 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.166 0.586 . . . . 73.040000000000006 109.697 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 55.7 ttp -68.29 94.69 0.55 Allowed 'General case' 0 C--O 1.238 0.491 0 N-CA-C 108.881 -0.785 . . . . 74.439999999999998 108.881 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.6 p -73.53 86.96 1.59 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.583 -0.735 . . . . 62.420000000000002 109.042 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.12 70.48 2.67 Favored Glycine 0 C--N 1.343 0.945 0 CA-C-N 115.259 -0.882 . . . . 74.200000000000003 111.735 -177.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.6 -93.35 0.04 OUTLIER Glycine 0 C--N 1.352 1.446 0 N-CA-C 110.643 -0.983 . . . . 75.510000000000005 110.643 171.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.7 p -177.91 103.79 0.21 Allowed Pre-proline 0 N--CA 1.475 0.818 0 C-N-CA 124.027 0.931 . . . . 75.140000000000001 109.456 173.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -61.26 127.68 22.77 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.051 1.834 . . . . 72.140000000000001 109.547 167.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 mp -75.56 74.96 2.59 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.47 0.708 . . . . 75.310000000000002 109.947 -176.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.84 79.91 3.43 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.968 0.907 . . . . 74.25 108.711 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.8 m -75.28 89.92 2.59 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 114.883 -1.053 . . . . 74.200000000000003 111.366 -170.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.35 130.69 10.97 Favored Glycine 0 C--N 1.338 0.663 0 N-CA-C 110.18 -1.168 . . . . 73.0 110.18 168.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.3 p -68.94 85.29 0.33 Allowed 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 121.73 0.776 . . . . 74.400000000000006 110.895 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.6 m -118.08 91.19 3.5 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.958 -1.019 . . . . 75.230000000000004 108.477 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.4 96.79 0.58 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.945 0.898 . . . . 71.439999999999998 109.195 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -90.09 115.21 27.18 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 108.997 -0.742 . . . . 74.109999999999999 108.997 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.7 m -84.8 102.42 13.04 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.481 0.712 . . . . 75.209999999999994 110.392 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -89.22 143.78 26.59 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.076 0.951 . . . . 74.430000000000007 109.488 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.79 79.36 0.05 OUTLIER Glycine 0 C--N 1.341 0.81 0 N-CA-C 111.609 -0.596 . . . . 73.219999999999999 111.609 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.26 87.19 1.25 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.455 0.702 . . . . 71.450000000000003 109.622 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.9 p -159.2 118.97 3.04 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.107 0.963 . . . . 74.129999999999995 110.433 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -147.98 147.33 29.52 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.263 1.025 . . . . 73.439999999999998 108.596 175.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -85.1 97.97 10.17 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 109.702 -0.481 . . . . 73.209999999999994 109.702 -177.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -129.94 106.0 8.36 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.791 0.837 . . . . 74.430000000000007 109.89 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.62 54.59 0.01 OUTLIER Glycine 0 C--N 1.339 0.743 0 N-CA-C 111.04 -0.824 . . . . 53.340000000000003 111.04 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.26 71.15 0.47 Allowed Glycine 0 C--N 1.342 0.916 0 N-CA-C 111.482 -0.647 . . . . 73.0 111.482 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 69.02 112.23 0.03 OUTLIER Pre-proline 0 CA--C 1.558 1.253 0 C-N-CA 124.838 1.255 . . . . 71.219999999999999 112.159 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -86.8 101.47 0.56 Allowed 'Trans proline' 0 CA--C 1.558 1.701 0 C-N-CA 123.291 2.661 . . . . 74.310000000000002 109.524 161.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -67.87 84.87 0.41 Allowed 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 123.099 2.533 . . . . 71.209999999999994 112.495 -171.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -174.84 22.62 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.251 1.421 . . . . 75.430000000000007 109.823 -179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.3 tp -123.99 80.63 1.83 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.636 0.774 . . . . 75.450000000000003 109.443 -175.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.4 tt -161.63 117.97 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 C-N-CA 123.896 0.879 . . . . 73.129999999999995 109.882 170.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.5 p -173.03 150.96 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.365 1.066 . . . . 75.340000000000003 108.781 174.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -111.17 128.03 25.98 Favored Pre-proline 0 N--CA 1.473 0.682 0 N-CA-C 108.869 -0.789 . . . . 75.430000000000007 108.869 172.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -70.91 1.18 5.45 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 123.169 2.58 . . . . 65.209999999999994 112.644 174.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.6 mt -67.4 87.89 0.19 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.435 1.094 . . . . 65.340000000000003 109.863 173.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 56.7 ttm -139.89 7.99 2.3 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.78 1.232 . . . . 74.109999999999999 108.341 170.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -132.58 179.54 6.08 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.879 1.271 . . . . 71.239999999999995 108.801 -176.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.43 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 73.2 m-85 -64.89 -60.15 3.39 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.003 0.521 . . . . 74.120000000000005 110.546 175.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.4 mt 62.68 109.85 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 125.563 1.545 . . . . 73.109999999999999 113.268 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 22.1 t -75.13 88.14 2.44 Favored 'General case' 0 C--N 1.346 0.448 0 N-CA-C 106.748 -1.575 . . . . 75.010000000000005 106.748 168.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -39.95 -42.57 1.38 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 125.125 1.515 . . . . 73.310000000000002 112.628 -171.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.6 mt -56.4 -52.19 55.25 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 C-N-CA 124.185 0.994 . . . . 75.439999999999998 112.404 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 21.2 p -100.18 -1.03 37.59 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 122.001 -0.437 . . . . 72.549999999999997 111.419 -174.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 63.61 10.67 5.15 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.132 1.373 . . . . 74.25 113.14 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -83.21 112.68 20.08 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.493 0.717 . . . . 74.140000000000001 110.729 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.51 73.33 0.23 Allowed Glycine 0 C--O 1.241 0.547 0 N-CA-C 107.679 -2.168 . . . . 64.340000000000003 107.679 169.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -170.52 -44.46 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 109.002 -0.74 . . . . 74.530000000000001 109.002 -159.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.8 t -97.5 78.68 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.204 0.601 . . . . 74.129999999999995 109.713 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.557 ' HA ' ' HB3' ' A' ' 53' ' ' MET . 2.8 mp0 -81.52 -18.94 43.31 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.136 0.574 . . . . 74.230000000000004 110.627 173.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -55.36 -36.81 66.73 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.652 1.181 . . . . 73.400000000000006 112.914 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.0 t -103.38 0.65 31.59 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.319 0.648 . . . . 73.120000000000005 111.48 177.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.557 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 40.9 ttm -100.25 131.65 46.07 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.985 0.514 . . . . 74.519999999999996 110.46 -171.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.486 HD11 HG21 ' A' ' 65' ' ' THR . 6.0 mp -103.71 152.82 21.37 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.057 1.343 . . . . 74.109999999999999 109.401 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -102.01 137.36 40.39 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.887 -0.597 . . . . 75.150000000000006 109.707 174.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.5 t -82.23 133.3 35.25 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.308 -0.86 . . . . 73.25 109.822 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -78.46 -50.94 10.76 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.627 0.371 . . . . 71.519999999999996 111.017 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.22 -17.24 69.95 Favored Glycine 0 C--N 1.349 1.258 0 CA-C-N 115.714 -0.676 . . . . 71.439999999999998 114.434 -170.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.3 p -165.59 177.84 7.09 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.314 1.046 . . . . 63.299999999999997 109.753 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -92.86 91.42 7.43 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.41 0.684 . . . . 55.100000000000001 109.253 -172.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -135.53 148.77 49.27 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 108.661 -0.866 . . . . 72.450000000000003 108.661 177.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.517 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 30.1 m -138.19 121.1 16.56 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 108.144 -1.058 . . . . 75.430000000000007 108.144 174.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -149.34 145.59 27.09 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.668 0.787 . . . . 72.239999999999995 110.575 -173.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.491 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 31.2 m170 -76.08 155.68 34.57 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.246 0.618 . . . . 61.420000000000002 110.384 174.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.67 HG23 HG12 ' A' ' 75' ' ' ILE . 7.9 p -59.06 -51.73 68.8 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.605 0.762 . . . . 60.420000000000002 111.219 172.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -74.48 -11.92 60.35 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 114.856 -1.065 . . . . 75.230000000000004 112.334 -173.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.648 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 84.0 m -90.77 -21.86 21.33 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-N 118.202 0.455 . . . . 73.120000000000005 112.089 -177.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.7 mt -83.28 42.78 0.84 Allowed 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 113.668 0.988 . . . . 73.420000000000002 113.668 -172.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mp -55.45 120.18 29.51 Favored Pre-proline 0 N--CA 1.5 2.072 0 C-N-CA 123.55 0.74 . . . . 75.519999999999996 112.157 -174.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -67.11 117.44 2.31 Favored 'Cis proline' 0 C--N 1.389 2.666 0 CA-C-N 120.392 1.176 . . . . 74.140000000000001 112.727 5.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -74.65 160.88 40.56 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.889 2.393 . . . . 74.230000000000004 114.112 -160.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.6 mt -77.42 82.74 3.86 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 108.436 -0.95 . . . . 73.219999999999999 108.436 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 t -61.86 -22.83 65.86 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.818 0.847 . . . . 74.239999999999995 112.001 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.5 t -125.75 136.55 53.29 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 107.24 -1.393 . . . . 64.340000000000003 107.24 165.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.67 HG12 HG23 ' A' ' 65' ' ' THR . 26.3 mt -73.21 123.36 89.44 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 123.682 0.793 . . . . 73.439999999999998 110.301 -178.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -48.42 127.86 16.6 Favored 'Trans proline' 0 C--N 1.384 2.428 0 C-N-CA 123.458 2.772 . . . . 74.219999999999999 111.766 169.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -47.59 81.4 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 125.681 1.593 . . . . 74.140000000000001 113.335 -177.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.03 -86.34 1.5 Allowed Glycine 0 C--N 1.348 1.207 0 CA-C-N 114.645 -1.161 . . . . 72.030000000000001 112.299 175.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -95.34 123.93 39.11 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.477 0.711 . . . . 73.200000000000003 110.468 -173.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 31.5 t90 -101.28 150.07 23.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.862 1.265 . . . . 72.150000000000006 111.022 -172.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.5 mt -115.56 127.93 55.6 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.55 -0.907 . . . . 75.099999999999994 108.55 172.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.639 ' SG ' ' HB2' ' A' ' 84' ' ' ARG . 26.4 p -77.4 161.5 72.28 Favored Pre-proline 0 CA--C 1.552 1.019 0 C-N-CA 123.084 0.554 . . . . 73.319999999999993 110.345 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -48.13 -33.89 22.38 Favored 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 123.042 2.495 . . . . 72.099999999999994 113.31 168.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.639 ' HB2' ' SG ' ' A' ' 82' ' ' CYS . 92.2 mtt180 -61.82 -40.73 96.29 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.879 0.872 . . . . 72.510000000000005 111.249 175.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 83.2 m -73.52 -28.38 61.87 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.446 0.698 . . . . 63.409999999999997 111.751 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.1 t -66.33 -41.54 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.229 0.611 . . . . 74.209999999999994 109.545 173.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.5 t -74.65 -22.96 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 C-N-CA 123.558 0.743 . . . . 73.120000000000005 110.652 173.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 68.82 -69.84 0.15 Allowed 'General case' 0 C--N 1.36 1.023 0 C-N-CA 126.849 2.06 . . . . 72.299999999999997 110.392 -170.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.95 140.37 22.38 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 106.04 -1.837 . . . . 74.349999999999994 106.04 173.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.0 t -69.28 91.33 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 N-CA-C 108.628 -0.879 . . . . 74.430000000000007 108.628 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.4 t -71.48 123.28 22.06 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 124.083 0.953 . . . . 74.310000000000002 111.226 -167.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -80.4 122.27 82.45 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 123.545 0.738 . . . . 74.329999999999998 109.917 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -68.98 85.26 0.51 Allowed 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 122.451 2.101 . . . . 71.530000000000001 110.441 166.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? . . . . . 0 C--O 1.247 0.953 0 N-CA-C 108.527 -0.916 . . . . 74.329999999999998 108.527 -177.947 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.648 'ZN ' ' SG ' ' A' ' 67' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.5 p . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 110.038 -0.356 . . . . 72.5 110.038 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -63.71 99.41 0.23 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.313 0.645 . . . . 74.150000000000006 110.221 -177.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 67.3 mtt -67.83 86.95 0.23 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.452 0.701 . . . . 74.109999999999999 109.617 176.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.1 t -99.7 98.6 9.42 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 107.938 -1.134 . . . . 61.450000000000003 107.938 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -135.51 97.31 0.28 Allowed Glycine 0 C--N 1.34 0.768 0 CA-C-N 115.76 -0.654 . . . . 51.109999999999999 111.496 -178.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.91 118.02 9.23 Favored Glycine 0 C--N 1.342 0.902 0 N-CA-C 111.201 -0.759 . . . . 74.439999999999998 111.201 173.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.1 t -117.59 86.0 22.38 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 123.586 0.754 . . . . 74.120000000000005 109.55 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -79.06 125.36 6.49 Favored 'Trans proline' 0 C--N 1.371 1.747 0 C-N-CA 122.071 1.848 . . . . 74.349999999999994 110.164 174.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.7 mt -56.37 114.98 2.22 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.414 0.686 . . . . 72.239999999999995 109.319 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.48 84.69 0.17 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.685 0.794 . . . . 64.109999999999999 110.854 -169.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.5 m 67.41 143.46 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.894 1.678 . . . . 73.540000000000006 112.657 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.69 143.56 16.83 Favored Glycine 0 C--N 1.342 0.872 0 N-CA-C 110.984 -0.846 . . . . 73.049999999999997 110.984 170.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.4 p -70.91 158.96 35.54 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.604 0.762 . . . . 74.200000000000003 111.329 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.4 p -121.13 167.55 12.53 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.396 1.079 . . . . 75.239999999999995 109.655 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.1 126.56 8.7 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.118 0.567 . . . . 74.230000000000004 109.991 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -117.2 98.96 6.72 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 107.775 -1.195 . . . . 74.129999999999995 107.775 176.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.4 m -64.58 114.07 4.14 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.674 0.79 . . . . 70.120000000000005 111.279 -173.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -101.01 -171.42 2.0 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.655 0.782 . . . . 74.140000000000001 110.908 -178.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.05 90.24 0.08 OUTLIER Glycine 0 C--N 1.348 1.217 0 CA-C-N 115.979 -0.555 . . . . 64.340000000000003 112.28 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.9 109.13 11.66 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.021 0.528 . . . . 75.230000000000004 109.996 178.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.7 m -77.34 77.97 3.87 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-O 121.651 0.739 . . . . 62.310000000000002 110.346 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -109.04 129.97 55.47 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.25 -0.886 . . . . 74.319999999999993 110.494 -176.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -174.48 103.1 0.1 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.749 0.82 . . . . 73.109999999999999 109.674 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -171.44 156.31 4.47 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.697 0.799 . . . . 72.239999999999995 110.43 171.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.45 41.58 99.76 Favored Glycine 0 C--N 1.347 1.16 0 O-C-N 123.699 0.625 . . . . 74.510000000000005 112.983 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -86.32 60.85 4.52 Favored Glycine 0 C--N 1.346 1.126 0 N-CA-C 111.235 -0.746 . . . . 64.239999999999995 111.235 178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -163.06 92.72 1.18 Allowed Pre-proline 0 C--O 1.245 0.816 0 N-CA-C 107.551 -1.277 . . . . 74.400000000000006 107.551 -173.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.83 130.06 33.28 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.134 1.889 . . . . 74.219999999999999 110.251 173.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -66.25 94.6 0.3 Allowed 'Trans proline' 0 C--N 1.378 2.086 0 C-N-CA 122.585 2.19 . . . . 65.349999999999994 111.189 -174.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.77 93.96 0.06 Allowed 'General case' 0 C--N 1.349 0.552 0 CA-C-N 115.106 -0.952 . . . . 73.510000000000005 109.871 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.7 tp -92.88 96.81 10.35 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.967 -1.015 . . . . 75.019999999999996 109.952 -172.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.441 HG22 ' HB3' ' A' ' 34' ' ' ASP . 2.3 mp -75.02 92.17 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 108.822 -0.807 . . . . 73.209999999999994 108.822 176.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.7 t -91.57 -1.56 10.1 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.279 0 C-N-CA 123.884 0.873 . . . . 72.409999999999997 108.803 168.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' HB3' HG22 ' A' ' 32' ' ' ILE . 13.9 t70 -56.86 141.01 75.73 Favored Pre-proline 0 CA--C 1.556 1.208 0 C-N-CA 125.171 1.388 . . . . 74.239999999999995 110.617 174.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -44.23 -36.69 9.32 Favored 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 124.269 3.313 . . . . 72.219999999999999 113.965 177.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.8 tt 77.35 -54.65 0.54 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 125.449 1.5 . . . . 72.310000000000002 111.822 173.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.4 tpt -59.13 85.93 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 124.564 1.145 . . . . 74.219999999999999 111.997 -177.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -148.99 162.55 39.68 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.945 1.298 . . . . 72.230000000000004 108.98 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -70.41 -72.58 0.2 Allowed 'General case' 0 C--O 1.243 0.719 0 O-C-N 123.591 0.557 . . . . 74.019999999999996 109.547 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.0 mt 63.64 127.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 125.494 1.517 . . . . 74.239999999999995 112.021 175.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 53.0 t -61.49 105.91 0.58 Allowed 'General case' 0 C--N 1.35 0.608 0 N-CA-C 109.158 -0.682 . . . . 71.329999999999998 109.158 176.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -62.47 -14.68 43.91 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 125.465 1.506 . . . . 72.25 112.301 -173.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.3 mt -94.38 -34.59 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 C-N-CA 123.297 0.639 . . . . 75.140000000000001 110.211 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.75 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 84.0 m -80.74 -24.92 38.36 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 122.826 0.45 . . . . 70.040000000000006 111.698 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.8 t30 74.86 -24.7 0.21 Allowed 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 125.421 1.488 . . . . 72.120000000000005 111.877 -172.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -109.84 167.55 10.07 Favored 'General case' 0 C--O 1.244 0.801 0 C-N-CA 124.265 1.026 . . . . 73.400000000000006 110.83 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -99.7 39.96 2.59 Favored Glycine 0 C--N 1.345 1.064 0 CA-C-N 115.293 -0.867 . . . . 75.340000000000003 113.314 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -72.1 156.84 38.75 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.358 -0.608 . . . . 73.230000000000004 109.358 174.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.0 t 43.09 55.07 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 125.11 1.364 . . . . 75.230000000000004 111.167 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.444 ' HA ' ' HE1' ' A' ' 53' ' ' MET . 14.9 pt-20 -65.44 -21.53 66.66 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 114.564 -1.198 . . . . 65.200000000000003 112.441 -172.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -64.47 -37.11 86.41 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.715 0.806 . . . . 73.219999999999999 110.692 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.3 m -97.02 13.28 29.56 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.282 0.633 . . . . 62.020000000000003 111.55 -175.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.444 ' HE1' ' HA ' ' A' ' 50' ' ' GLU . 46.1 ttm -84.32 102.51 12.76 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 108.656 -0.868 . . . . 75.340000000000003 108.656 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.2 mt -74.32 145.93 43.52 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.148 -0.933 . . . . 74.340000000000003 108.961 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.67 116.51 25.44 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.972 -1.121 . . . . 74.340000000000003 107.972 175.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.614 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 43.6 t -57.7 110.4 0.89 Allowed 'General case' 0 C--N 1.354 0.789 0 O-C-N 123.714 0.634 . . . . 63.299999999999997 109.741 173.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -58.38 -30.08 66.51 Favored 'General case' 0 CA--C 1.562 1.415 0 O-C-N 124.066 0.854 . . . . 75.219999999999999 111.764 -177.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.537 ' O ' ' SG ' ' A' ' 59' ' ' CYS . . . -118.22 59.26 0.5 Allowed Glycine 0 CA--C 1.544 1.872 0 CA-C-N 115.477 -0.783 . . . . 62.210000000000001 113.398 177.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.782 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 64.8 m -173.72 -34.86 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 126.274 1.83 . . . . 75.200000000000003 110.272 168.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.6 t70 61.14 56.57 2.71 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 122.944 1.354 . . . . 74.239999999999995 109.284 -168.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -125.7 134.37 51.83 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 107.356 -1.35 . . . . 70.530000000000001 107.356 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.5 m -102.16 122.2 43.7 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.729 0.812 . . . . 62.119999999999997 110.568 -169.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -136.0 138.24 42.05 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.296 1.038 . . . . 73.209999999999994 108.252 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.676 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 26.6 m170 -74.49 156.29 37.07 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 118.34 0.518 . . . . 73.400000000000006 109.969 170.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 36.8 p -53.59 -45.93 70.17 Favored 'General case' 0 CA--C 1.553 1.06 0 O-C-N 124.652 1.22 . . . . 75.019999999999996 111.357 170.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -85.74 -23.74 27.2 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 115.239 -0.891 . . . . 75.439999999999998 113.187 -175.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.75 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 86.9 m -69.06 -25.61 64.54 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 118.252 0.478 . . . . 72.129999999999995 112.041 -179.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.5 mt -80.63 155.44 26.85 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.557 -0.534 . . . . 74.120000000000005 109.557 172.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 pp -124.97 136.45 28.11 Favored Pre-proline 0 CA--C 1.549 0.917 0 N-CA-C 108.857 -0.794 . . . . 64.25 108.857 169.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -64.09 137.55 28.28 Favored 'Cis proline' 0 C--N 1.378 2.095 0 CA-C-N 120.018 1.042 . . . . 71.450000000000003 112.393 -7.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -68.42 124.85 12.1 Favored 'Trans proline' 0 C--N 1.371 1.733 0 C-N-CA 122.637 2.225 . . . . 74.209999999999994 112.803 -173.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.426 ' O ' ' HB ' ' A' ' 65' ' ' THR . 48.5 mt -65.87 113.54 4.44 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.548 -0.751 . . . . 74.409999999999997 109.322 172.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.1 p -80.42 -1.29 40.83 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.528 0.731 . . . . 63.299999999999997 111.901 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.3 t -155.34 176.83 12.06 Favored 'General case' 0 C--O 1.248 1.021 0 C-N-CA 124.335 1.054 . . . . 74.439999999999998 109.269 -177.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.0 mt -64.6 128.28 93.3 Favored Pre-proline 0 CA--C 1.559 1.3 0 N-CA-C 109.288 -0.634 . . . . 75.239999999999995 109.288 172.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -64.24 177.52 2.0 Allowed 'Trans proline' 0 C--N 1.375 1.947 0 C-N-CA 123.284 2.656 . . . . 74.340000000000003 113.881 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -64.55 97.42 0.21 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.165 0.986 . . . . 74.549999999999997 111.254 -176.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 63.46 -136.06 42.14 Favored Glycine 0 C--N 1.35 1.329 0 O-C-N 123.658 0.599 . . . . 64.120000000000005 111.782 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -69.78 150.52 46.8 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.346 -0.613 . . . . 64.5 109.346 173.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -111.76 131.84 55.05 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 121.194 0.521 . . . . 75.019999999999996 110.121 -173.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.441 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 82.0 mt -104.94 132.35 51.3 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.271 1.028 . . . . 62.219999999999999 109.162 173.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.782 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 19.2 p -66.58 159.69 72.2 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 123.339 0.656 . . . . 73.5 111.153 175.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.427 ' HB2' ' NH2' ' A' ' 84' ' ' ARG . 51.7 Cg_exo -56.84 -20.5 36.07 Favored 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 122.582 2.188 . . . . 71.510000000000005 112.88 171.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.696 ' HB2' ' SG ' ' A' ' 82' ' ' CYS . 0.0 OUTLIER -62.41 -47.03 85.91 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.796 0.839 . . . . 72.299999999999997 110.287 171.121 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.705 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 59.0 m -66.79 -39.48 87.79 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.62 0.768 . . . . 75.109999999999999 111.066 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.7 t -66.68 -43.14 90.37 Favored 'Isoleucine or valine' 0 C--O 1.247 0.947 0 CA-C-N 114.761 -1.108 . . . . 74.510000000000005 109.774 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.0 t 74.99 -49.95 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 C-N-CA 126.088 1.755 . . . . 75.099999999999994 111.045 -176.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 71.22 122.15 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.163 1.785 . . . . 74.510000000000005 111.634 175.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -64.6 -22.82 67.07 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.559 1.144 . . . . 75.409999999999997 112.404 -171.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 m -100.12 89.57 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 109.132 -0.692 . . . . 70.400000000000006 109.132 170.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.9 m -81.88 162.47 22.76 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.848 -0.614 . . . . 62.310000000000002 110.602 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -73.55 156.95 88.34 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 123.903 0.881 . . . . 75.5 109.221 175.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -55.13 141.25 80.32 Favored 'Trans proline' 0 C--N 1.376 1.984 0 C-N-CA 122.634 2.223 . . . . 75.239999999999995 112.815 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 . . . . . 0 C--O 1.255 1.345 0 C-N-CA 123.485 0.714 . . . . 54.399999999999999 109.404 178.892 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.636 'ZN ' ' SG ' ' A' ' 67' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . 0.646 'ZN ' ' SG ' ' A' ' 59' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.4 tptt . . . . . 0 N--CA 1.466 0.341 0 N-CA-C 107.463 -1.31 . . . . 63.229999999999997 107.463 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -69.74 95.4 0.88 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.511 0.724 . . . . 74.109999999999999 110.002 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.4 mt -107.85 139.43 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.704 0.802 . . . . 70.430000000000007 109.637 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.666 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 14.5 t -77.08 97.83 4.83 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 108.155 -1.054 . . . . 62.25 108.155 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -65.17 -24.68 67.45 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 114.631 -1.168 . . . . 65.439999999999998 112.876 -169.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.8 mt -59.72 -43.16 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 122.986 0.514 . . . . 72.329999999999998 111.243 169.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.535 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 25.4 p -106.58 3.99 27.57 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 122.302 -0.248 . . . . 74.409999999999997 111.416 -176.13 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.3 p30 55.49 9.51 0.39 Allowed 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 126.166 1.787 . . . . 74.239999999999995 113.873 -178.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -135.72 146.19 47.45 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.158 0.983 . . . . 74.310000000000002 108.964 -172.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.53 50.93 1.24 Allowed Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.678 -0.569 . . . . 51.450000000000003 111.678 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -42.83 -76.28 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 125.516 1.526 . . . . 61.119999999999997 112.928 -175.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.4 t -113.18 103.77 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 109.568 -0.53 . . . . 70.450000000000003 109.568 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.39 -24.89 64.83 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.75 0.82 . . . . 72.109999999999999 111.593 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -72.76 -20.77 61.12 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.973 0.909 . . . . 61.020000000000003 111.125 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.1 m -110.1 9.08 24.12 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.938 0.895 . . . . 65.019999999999996 111.037 177.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 48.9 ttm -91.91 115.72 28.3 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 123.113 0.565 . . . . 75.239999999999995 109.637 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 59.1 mt -102.71 153.01 20.55 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 124.453 1.101 . . . . 72.010000000000005 110.213 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.27 116.26 22.36 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 105.99 -1.855 . . . . 63.310000000000002 105.99 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.682 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 44.4 t -58.0 113.64 1.98 Allowed 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.634 0.584 . . . . 72.140000000000001 111.575 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.676 ' HB2' ' HB3' ' A' ' 79' ' ' GLU . 29.5 t70 -51.35 -48.79 62.34 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.84 1.256 . . . . 72.310000000000002 110.962 173.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.456 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -96.95 55.06 1.34 Allowed Glycine 0 C--N 1.347 1.142 0 O-C-N 123.948 0.78 . . . . 71.120000000000005 112.016 175.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.557 ' HB2' ' SG ' ' A' ' 56' ' ' CYS . 33.3 m 177.09 -155.88 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 127.708 2.403 . . . . 65.150000000000006 105.952 170.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -161.28 104.96 1.29 Allowed 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.098 -1.075 . . . . 71.040000000000006 108.098 167.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.41 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 10.4 t70 -175.68 146.25 0.74 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.475 1.11 . . . . 74.329999999999998 108.542 177.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 54.7 m -92.88 123.91 36.48 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.967 0.507 . . . . 74.209999999999994 110.656 -177.27 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 61' ' ' ASP . 69.9 m-85 -122.88 147.97 45.97 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.461 1.105 . . . . 70.329999999999998 108.551 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.78 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 24.5 m80 -93.05 153.05 18.93 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 108.632 -0.877 . . . . 62.350000000000001 108.632 165.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.435 HG22 HD12 ' A' ' 72' ' ' LEU . 32.6 p -60.65 -39.64 89.06 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.626 1.203 . . . . 72.049999999999997 109.964 169.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -65.06 -38.03 89.5 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.834 1.254 . . . . 73.409999999999997 111.552 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.78 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 79.7 m -70.71 -18.99 62.8 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.658 0.783 . . . . 65.209999999999994 112.99 -174.121 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 85.3 mt -90.6 143.24 26.93 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.508 0.723 . . . . 75.129999999999995 109.565 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 mp -107.08 118.56 53.64 Favored Pre-proline 0 N--CA 1.49 1.561 0 C-N-CA 123.642 0.777 . . . . 71.519999999999996 109.741 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -80.24 160.41 85.71 Favored 'Cis proline' 0 C--N 1.385 2.467 0 CA-C-N 119.943 1.015 . . . . 70.209999999999994 111.221 -4.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.432 ' HA ' ' O ' ' A' ' 65' ' ' THR . 76.0 Cg_exo -53.26 137.33 63.84 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 122.383 2.055 . . . . 64.510000000000005 112.055 174.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.435 HD12 HG22 ' A' ' 65' ' ' THR . 69.5 mt -68.82 101.3 1.31 Allowed 'General case' 0 CA--C 1.542 0.67 0 O-C-N 123.53 0.518 . . . . 72.319999999999993 110.11 -173.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.8 m -55.41 -35.73 65.69 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 125.082 1.353 . . . . 74.340000000000003 111.966 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.4 m -109.85 136.38 49.25 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 123.806 0.842 . . . . 71.129999999999995 108.798 173.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.6 mm -78.38 122.55 85.23 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 107.696 -1.224 . . . . 75.540000000000006 107.696 167.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -48.25 110.86 0.37 Allowed 'Trans proline' 0 C--N 1.377 2.033 0 C-N-CA 123.465 2.776 . . . . 63.310000000000002 113.453 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -61.29 -40.2 93.26 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.582 1.153 . . . . 75.420000000000002 110.849 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -96.59 175.99 32.04 Favored Glycine 0 C--N 1.341 0.84 0 N-CA-C 110.658 -0.977 . . . . 34.340000000000003 110.658 170.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.676 ' HB3' ' HB2' ' A' ' 57' ' ' ASP . 22.8 mm-40 -56.13 134.58 52.92 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.605 0.762 . . . . 74.310000000000002 110.868 177.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -89.51 135.7 33.45 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.714 0.806 . . . . 74.549999999999997 109.327 -172.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.0 mt -101.26 132.77 46.62 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 108.432 -0.951 . . . . 72.129999999999995 108.432 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.779 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 17.2 p -62.45 141.09 96.63 Favored Pre-proline 0 CA--C 1.553 1.069 0 CA-C-O 118.751 -0.642 . . . . 64.030000000000001 109.637 172.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.23 -27.87 31.86 Favored 'Trans proline' 0 C--N 1.39 2.711 0 C-N-CA 123.913 3.075 . . . . 70.340000000000003 113.772 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -57.53 -46.91 83.29 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.427 1.091 . . . . 73.310000000000002 110.331 174.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.779 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 63.2 m -81.82 -31.76 31.55 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.918 -1.037 . . . . 71.340000000000003 111.869 -176.112 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.6 t -53.2 -37.68 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 123.519 0.728 . . . . 70.329999999999998 111.518 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 CA--C 1.551 0.993 0 CA-C-O 121.94 0.876 . . . . 73.420000000000002 109.231 174.67 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.478 0 N-CA-C 107.926 -1.139 . . . . 73.430000000000007 107.926 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.562 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 31.5 m-85 -71.55 85.95 0.87 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.867 0.841 . . . . 71.010000000000005 110.274 -173.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.8 mt -111.68 122.79 66.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 C-N-CA 125.675 1.59 . . . . 64.420000000000002 108.592 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.468 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 52.9 t -65.55 110.91 2.89 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.463 -0.939 . . . . 45.420000000000002 108.463 174.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -65.27 -9.97 28.46 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.492 1.517 . . . . 73.209999999999994 112.75 -170.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.4 mt -102.36 -27.88 3.22 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 124.044 0.938 . . . . 74.120000000000005 110.108 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.628 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 68.5 m -89.24 -20.33 24.28 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.266 0.626 . . . . 75.329999999999998 111.848 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.1 t30 74.55 -8.68 1.45 Allowed 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 125.397 1.479 . . . . 74.319999999999993 111.934 -174.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.18 159.13 42.82 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.002 0.921 . . . . 74.519999999999996 110.201 172.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.78 50.45 0.77 Allowed Glycine 0 C--N 1.338 0.694 0 CA-C-N 115.976 -0.556 . . . . 74.510000000000005 111.968 176.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -59.04 -34.97 72.53 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.388 1.075 . . . . 43.409999999999997 112.131 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.561 HG12 ' H ' ' A' ' 52' ' ' SER . 54.7 t -116.48 94.51 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.115 0.566 . . . . 71.200000000000003 109.748 172.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.08 -24.41 62.31 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.639 0.376 . . . . 74.420000000000002 110.867 173.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.74 -37.63 88.09 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.387 1.075 . . . . 74.040000000000006 113.024 -174.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.561 ' H ' HG12 ' A' ' 49' ' ' VAL . 17.7 m -100.58 14.79 30.22 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.179 0.592 . . . . 73.549999999999997 110.76 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.574 ' SD ' ' HB3' ' A' ' 62' ' ' SER . 44.8 ttm -95.71 122.25 38.28 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 123.295 0.638 . . . . 73.120000000000005 110.777 -175.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.8 mt -89.61 148.22 23.47 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 125.282 1.433 . . . . 74.430000000000007 109.273 174.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -115.86 129.41 56.41 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.202 0.601 . . . . 71.239999999999995 109.526 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.827 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 42.3 t -72.38 86.84 1.14 Allowed 'General case' 0 C--N 1.351 0.659 0 N-CA-C 108.903 -0.777 . . . . 73.530000000000001 108.903 173.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.9 85.17 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 125.3 1.44 . . . . 70.400000000000006 111.52 -175.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 153.75 -29.25 0.75 Allowed Glycine 0 C--N 1.346 1.116 0 CA-C-N 115.867 -0.606 . . . . 72.530000000000001 112.89 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.827 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 4.2 p -128.24 -8.47 5.31 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.679 0.792 . . . . 74.329999999999998 111.454 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 61.15 76.4 0.37 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.437 1.495 . . . . 72.239999999999995 112.003 175.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.447 ' H ' ' HB3' ' A' ' 56' ' ' CYS . 19.3 m-20 -121.54 119.99 33.55 Favored 'General case' 0 C--O 1.245 0.851 0 N-CA-C 108.102 -1.073 . . . . 73.099999999999994 108.102 174.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.574 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 30.5 m -93.91 123.49 37.3 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.188 0.595 . . . . 73.519999999999996 110.058 -177.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -140.01 161.68 37.03 Favored 'General case' 0 C--O 1.208 -1.088 0 C-N-CA 124.689 1.196 . . . . 72.150000000000006 109.795 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.657 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 38.0 m80 -97.55 156.05 16.68 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 109.315 -0.624 . . . . 71.230000000000004 109.315 169.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.6 p -54.18 -48.27 71.12 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.946 0.898 . . . . 61.210000000000001 111.153 173.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -78.22 -17.91 56.11 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 115.174 -0.921 . . . . 74.310000000000002 112.682 -176.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 88.0 m -75.91 -32.6 59.7 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.045 0.538 . . . . 74.319999999999993 111.908 178.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.1 mt -71.26 150.98 44.7 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.937 0.895 . . . . 74.349999999999994 112.661 -174.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.7 mp -118.0 112.65 38.09 Favored Pre-proline 0 CA--C 1.555 1.16 0 N-CA-C 107.768 -1.197 . . . . 75.140000000000001 107.768 167.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 91.3 Cg_endo -75.98 144.28 79.28 Favored 'Cis proline' 0 C--N 1.383 2.392 0 CA-C-N 120.395 1.177 . . . . 42.210000000000001 112.773 -0.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 70' ' ' PRO . 17.4 Cg_exo -66.54 138.81 51.3 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.374 2.05 . . . . 73.230000000000004 111.462 177.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.0 mt -91.5 131.1 37.17 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.974 -0.557 . . . . 74.400000000000006 109.613 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.9 t -74.97 -14.75 60.66 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.51 0.724 . . . . 73.319999999999993 111.223 -177.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.7 p -150.78 160.67 43.71 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.332 1.053 . . . . 74.019999999999996 110.381 -174.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 76.0 mt -81.75 117.28 67.67 Favored Pre-proline 0 CA--C 1.552 1.053 0 C-N-CA 123.979 0.912 . . . . 73.120000000000005 109.077 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -81.04 58.86 7.21 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 123.065 2.51 . . . . 52.140000000000001 111.814 177.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.4 tttp 73.03 -28.77 0.19 Allowed 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 125.89 1.676 . . . . 74.25 113.793 178.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.51 -30.42 9.54 Favored Glycine 0 C--N 1.343 0.936 0 N-CA-C 111.301 -0.719 . . . . 73.239999999999995 111.301 -169.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -74.83 89.05 2.31 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 107.532 -1.284 . . . . 61.009999999999998 107.532 170.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -145.85 154.96 42.56 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 114.832 -1.076 . . . . 73.329999999999998 109.755 -168.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 98.3 mt -119.96 130.16 54.65 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.532 0.733 . . . . 74.030000000000001 109.414 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.762 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 14.4 p -67.47 143.1 96.89 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 123.804 0.842 . . . . 43.240000000000002 111.018 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.52 -30.33 53.79 Favored 'Trans proline' 0 C--N 1.385 2.486 0 C-N-CA 123.327 2.684 . . . . 64.129999999999995 113.151 -178.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -68.4 -34.08 75.39 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 115.841 -0.618 . . . . 73.299999999999997 111.436 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.784 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 71.3 m -85.76 -23.87 27.1 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 122.568 0.347 . . . . 73.120000000000005 111.846 177.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.0 t -69.55 -44.55 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 122.567 0.347 . . . . 74.019999999999996 110.234 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.3 t . . . . . 0 N--CA 1.481 1.099 0 CA-C-N 116.108 -0.496 . . . . 60.039999999999999 109.848 171.743 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp . . . . . 0 N--CA 1.469 0.488 0 N-CA-C 106.198 -1.778 . . . . 72.329999999999998 106.198 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.4 ' HB2' ' SD ' ' A' ' 53' ' ' MET . 89.1 m-85 -59.55 99.53 0.06 Allowed 'General case' 0 CA--C 1.547 0.839 0 O-C-N 123.688 0.618 . . . . 74.439999999999998 110.003 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.1 mt -72.42 116.94 15.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.687 0 C-N-CA 123.48 0.712 . . . . 73.439999999999998 110.579 -175.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.675 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 48.7 t -64.84 121.5 14.75 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 108.586 -0.894 . . . . 74.439999999999998 108.586 176.092 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -67.93 -4.07 11.84 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 112.612 0.597 . . . . 74.230000000000004 112.612 -174.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.6 mt -112.89 -49.37 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 123.698 0.799 . . . . 63.539999999999999 111.344 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 26.5 p -107.35 -3.95 19.11 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.869 -0.519 . . . . 51.149999999999999 112.313 -170.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 75.6 -56.5 0.6 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 126.243 1.817 . . . . 53.409999999999997 113.093 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.83 135.11 57.45 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.296 0.639 . . . . 75.530000000000001 112.003 -175.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.38 30.25 7.41 Favored Glycine 0 N--CA 1.475 1.276 0 N-CA-C 110.907 -0.877 . . . . 65.310000000000002 110.907 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -88.81 -25.37 22.25 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.177 0.991 . . . . 74.319999999999993 110.758 -173.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.2 t -84.36 63.39 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 N-CA-C 107.629 -1.248 . . . . 54.299999999999997 107.629 168.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.7 ' HA ' ' HB2' ' A' ' 53' ' ' MET . 11.5 pt-20 -73.41 -20.21 60.79 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.519 -1.219 . . . . 73.439999999999998 111.237 -175.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -57.87 -35.07 70.45 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 124.405 1.082 . . . . 73.25 111.151 170.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.8 t -106.02 8.66 32.47 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.799 0.839 . . . . 71.040000000000006 111.795 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.7 ' HB2' ' HA ' ' A' ' 50' ' ' GLU . 4.2 tpt -67.83 102.55 1.26 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.985 0.514 . . . . 63.119999999999997 110.324 -175.291 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.2 mt -92.26 122.39 34.69 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.332 1.053 . . . . 73.519999999999996 108.994 176.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -111.59 116.08 30.23 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 108.269 -1.011 . . . . 74.120000000000005 108.269 -177.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.767 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 49.9 t -72.53 83.46 1.11 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.537 -0.912 . . . . 65.430000000000007 108.537 174.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -63.02 99.52 0.17 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.503 -0.771 . . . . 74.109999999999999 110.659 -178.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.87 -31.54 0.99 Allowed Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.412 -1.075 . . . . 72.329999999999998 110.412 -174.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.767 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 2.2 p -147.04 10.64 1.02 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.899 0.88 . . . . 74.120000000000005 112.367 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 60.84 14.49 5.21 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 114.794 1.405 . . . . 64.409999999999997 114.794 171.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.447 ' HB3' ' HE2' ' A' ' 63' ' ' TYR . 51.6 m-20 -66.56 99.35 0.57 Allowed 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.179 0.445 . . . . 72.420000000000002 110.445 -176.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 m -83.54 126.99 33.37 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.566 -0.743 . . . . 74.450000000000003 109.497 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.447 ' HE2' ' HB3' ' A' ' 61' ' ' ASP . 89.6 m-85 -143.16 175.46 9.86 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.442 1.097 . . . . 73.099999999999994 108.717 177.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.667 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 45.3 m80 -113.22 166.02 11.85 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.104 -0.702 . . . . 74.349999999999994 109.104 165.418 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.5 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 50.3 p -57.4 -46.66 83.22 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 123.907 0.754 . . . . 72.150000000000006 111.027 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -81.42 -4.24 55.22 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.654 1.182 . . . . 75.219999999999999 113.194 -176.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.675 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 99.4 m -78.93 -50.52 11.04 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 118.423 0.556 . . . . 73.230000000000004 112.384 -175.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.432 HD12 ' H ' ' A' ' 68' ' ' LEU . 4.1 mp -70.93 174.45 6.15 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 113.088 0.773 . . . . 71.530000000000001 113.088 -173.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.6 tp -127.92 112.08 20.32 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 124.635 1.174 . . . . 73.040000000000006 107.956 171.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -73.73 135.51 40.39 Favored 'Cis proline' 0 C--N 1.379 2.16 0 CA-C-N 120.581 1.243 . . . . 54.020000000000003 113.358 4.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.77 122.13 8.56 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 122.622 2.215 . . . . 62.119999999999997 111.185 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.5 ' O ' ' HB ' ' A' ' 65' ' ' THR . 62.8 mt -70.99 88.43 0.76 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.378 1.071 . . . . 74.409999999999997 111.075 -176.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.1 p -70.09 -37.5 75.44 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 109.12 -0.696 . . . . 73.239999999999995 109.12 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.8 p -83.8 127.71 34.01 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.383 -0.826 . . . . 75.409999999999997 109.09 168.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.1 mm -58.77 130.23 85.57 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 124.437 1.095 . . . . 75.409999999999997 111.471 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -66.08 -179.9 1.61 Allowed 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 122.732 2.288 . . . . 72.120000000000005 112.68 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -83.08 35.9 0.5 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.03 0.932 . . . . 75.310000000000002 112.961 -170.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.98 -77.16 0.83 Allowed Glycine 0 C--N 1.35 1.332 0 N-CA-C 111.467 -0.653 . . . . 72.230000000000004 111.467 -173.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -68.16 99.69 0.93 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.072 0.949 . . . . 73.409999999999997 108.767 173.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -120.56 137.66 54.28 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.057 1.343 . . . . 73.540000000000006 109.123 -175.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.0 mt -122.12 146.19 47.45 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.719 0.808 . . . . 45.420000000000002 108.914 168.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.755 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 10.5 p -63.08 140.87 97.71 Favored Pre-proline 0 CA--C 1.55 0.974 0 CA-C-O 118.517 -0.754 . . . . 72.25 109.736 173.075 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -43.88 -34.72 6.34 Favored 'Trans proline' 0 C--N 1.382 2.294 0 C-N-CA 124.286 3.324 . . . . 73.5 115.511 -173.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -70.04 -39.61 75.63 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.703 0.801 . . . . 70.439999999999998 110.714 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.759 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 58.8 m -83.06 -20.11 35.58 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.445 0.698 . . . . 43.030000000000001 112.17 -178.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.13 -44.56 95.41 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 N-CA-C 109.494 -0.558 . . . . 34.43 109.494 168.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 CA--C 1.546 0.823 0 CA-C-O 122.598 1.189 . . . . 52.219999999999999 108.125 170.624 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.5 mttp . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 107.76 -1.2 . . . . 72.129999999999995 107.76 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -71.89 127.24 31.95 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.422 0.629 . . . . 74.219999999999999 111.208 -174.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.7 mt -114.99 133.66 60.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 C-N-CA 125.015 1.326 . . . . 61.399999999999999 109.728 -172.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 62' ' ' SER . 53.1 t -80.47 112.29 17.67 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 108.06 -1.089 . . . . 65.140000000000001 108.06 168.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -54.85 -42.32 71.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 124.19 0.931 . . . . 64.239999999999995 111.747 -174.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 58.3 mt -60.01 -45.85 94.91 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 C-N-CA 124.443 1.097 . . . . 74.140000000000001 111.278 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 29.3 m -80.88 -18.03 48.65 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.056 0.942 . . . . 74.420000000000002 111.574 -177.334 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 64.17 16.02 9.74 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.291 1.437 . . . . 73.310000000000002 112.049 -175.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.444 ' HG3' ' HB2' ' A' ' 48' ' ' ASP . 20.0 ptt-85 -162.04 174.62 12.76 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.003 0.921 . . . . 70.430000000000007 110.764 -177.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.21 -42.83 82.48 Favored Glycine 0 C--N 1.348 1.198 0 O-C-N 123.708 0.63 . . . . 41.149999999999999 112.227 175.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.444 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 27.5 t70 62.61 -89.15 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 124.629 1.172 . . . . 64.129999999999995 112.322 172.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.407 HG12 ' H ' ' A' ' 52' ' ' SER . 93.4 t -123.45 92.22 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 107.614 -1.254 . . . . 71.129999999999995 107.614 178.07 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -61.73 -30.22 70.63 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.45 1.1 . . . . 71.540000000000006 112.032 -172.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -66.85 -37.33 84.25 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.486 0.714 . . . . 74.439999999999998 111.64 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.407 ' H ' HG12 ' A' ' 49' ' ' VAL . 38.0 t -78.89 -20.33 49.71 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.047 0.539 . . . . 52.399999999999999 110.415 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.443 ' SD ' ' HB3' ' A' ' 62' ' ' SER . 48.6 ttm -72.97 117.61 14.91 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.005 0.922 . . . . 71.0 110.875 177.066 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.9 mp -91.16 151.42 20.97 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 107.916 -1.142 . . . . 73.129999999999995 107.916 169.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.6 123.04 44.26 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 107.509 -1.293 . . . . 75.230000000000004 107.509 -176.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.7 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 35.1 t -67.56 123.68 21.13 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.513 0.725 . . . . 63.140000000000001 111.534 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.76 -29.48 67.88 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.852 1.261 . . . . 75.230000000000004 111.846 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.19 0.62 66.52 Favored Glycine 0 C--N 1.345 1.043 0 CA-C-O 118.985 -0.897 . . . . 73.129999999999995 114.462 -174.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.79 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 25.8 p -171.4 -153.82 0.09 Allowed 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 117.627 0.713 . . . . 63.420000000000002 110.658 -175.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -118.19 -6.25 10.87 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.593 0.757 . . . . 75.439999999999998 112.564 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.411 ' OD1' ' SG ' ' A' ' 59' ' ' CYS . 7.9 p30 -63.5 139.42 58.77 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 118.815 0.734 . . . . 44.229999999999997 110.314 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.555 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 50.0 m -123.4 138.83 54.51 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.707 0.803 . . . . 73.209999999999994 109.3 -174.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.419 ' HB2' ' CH2' ' A' ' 80' ' ' TRP . 57.6 m-85 -143.34 149.8 38.28 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.81 0.844 . . . . 74.209999999999994 109.357 -178.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.647 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 38.6 m80 -87.78 160.63 17.97 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.213 0.605 . . . . 74.340000000000003 110.559 176.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.525 HG22 ' HB2' ' A' ' 72' ' ' LEU . 42.7 p -58.15 -54.83 42.52 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 123.924 0.765 . . . . 71.140000000000001 111.089 175.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -77.26 -14.34 59.77 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.005 -0.998 . . . . 45.219999999999999 112.514 -174.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.647 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 90.9 m -74.28 -14.47 60.91 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 113.437 0.903 . . . . 73.340000000000003 113.437 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 63.3 mt -108.75 150.46 27.56 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.582 0.753 . . . . 74.510000000000005 110.756 -177.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.2 mt -128.86 117.24 19.34 Favored Pre-proline 0 N--CA 1.479 1.025 0 N-CA-C 107.895 -1.15 . . . . 53.100000000000001 107.895 169.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -70.68 142.3 71.6 Favored 'Cis proline' 0 C--N 1.385 2.472 0 CA-C-N 120.649 1.268 . . . . 72.299999999999997 112.301 -0.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.463 ' HG2' HG23 ' A' ' 73' ' ' THR . 59.7 Cg_endo -68.97 161.13 47.04 Favored 'Trans proline' 0 C--N 1.373 1.855 0 C-N-CA 122.449 2.099 . . . . 71.209999999999994 111.964 -177.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.525 ' HB2' HG22 ' A' ' 65' ' ' THR . 49.8 mt -82.19 71.96 9.25 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.856 -0.794 . . . . 71.310000000000002 108.856 176.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.463 HG23 ' HG2' ' A' ' 71' ' ' PRO . 40.9 p -69.92 -27.82 65.1 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 114.753 -1.112 . . . . 63.420000000000002 110.325 -179.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.2 m -118.07 129.74 55.73 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 108.454 -0.943 . . . . 55.109999999999999 108.454 171.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.4 mm -78.45 121.86 84.27 Favored Pre-proline 0 C--O 1.247 0.928 0 C-N-CA 123.517 0.727 . . . . 75.409999999999997 109.529 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -72.64 99.33 1.04 Allowed 'Trans proline' 0 C--N 1.376 1.983 0 C-N-CA 121.934 1.756 . . . . 52.32 110.493 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -58.93 105.67 0.34 Allowed 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 114.566 -1.197 . . . . 71.340000000000003 109.825 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.58 20.35 2.92 Favored Glycine 0 N--CA 1.47 0.938 0 N-CA-C 109.876 -1.29 . . . . 50.109999999999999 109.876 -171.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 67.59 176.57 0.25 Allowed 'General case' 0 C--N 1.359 0.997 0 C-N-CA 126.305 1.842 . . . . 62.5 112.846 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.424 ' CZ2' ' HA ' ' A' ' 82' ' ' CYS . 55.8 t90 -123.0 144.75 49.05 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.337 0.655 . . . . 73.540000000000006 111.92 -164.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.5 mt -106.53 127.22 53.15 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 124.401 1.08 . . . . 73.439999999999998 109.411 171.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.707 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 32.0 p -67.23 158.34 82.04 Favored Pre-proline 0 N--CA 1.476 0.861 0 CA-C-O 117.939 -1.029 . . . . 63.409999999999997 110.583 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -46.81 -36.83 20.41 Favored 'Trans proline' 0 C--N 1.382 2.305 0 C-N-CA 122.917 2.411 . . . . 62.450000000000003 113.824 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.46 ' HB3' ' SG ' ' A' ' 82' ' ' CYS . 31.8 tpt180 -63.08 -47.13 84.21 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.121 1.368 . . . . 74.120000000000005 111.205 176.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.79 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 79.9 m -79.56 -28.04 41.2 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.417 0.687 . . . . 62.409999999999997 112.425 -176.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 82' ' ' CYS . 70.4 t -58.24 -55.85 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.037 0.935 . . . . 61.0 110.736 173.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.9 t . . . . . 0 N--CA 1.486 1.369 0 C-N-CA 125.427 1.491 . . . . 73.439999999999998 111.415 -178.335 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 121.67 0.748 . . . . 75.409999999999997 111.443 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -89.68 68.21 7.55 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.669 0.747 . . . . 74.530000000000001 110.04 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.5 pp -75.36 163.76 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 114.808 -1.087 . . . . 74.319999999999993 111.034 174.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.539 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 48.6 t -69.9 106.13 3.06 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 107.102 -1.444 . . . . 75.299999999999997 107.102 168.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -65.76 -13.64 59.79 Favored 'General case' 0 CA--C 1.564 1.501 0 O-C-N 124.176 0.922 . . . . 74.439999999999998 112.4 -167.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.6 mt -94.56 -25.94 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 C-N-CA 123.407 0.683 . . . . 72.129999999999995 109.908 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 73.7 m -87.66 -57.27 3.01 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.397 0.679 . . . . 72.040000000000006 111.633 -175.055 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 80.23 -38.39 0.16 Allowed 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 125.461 1.504 . . . . 61.509999999999998 111.781 -173.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -51.75 -59.56 4.16 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.23 1.012 . . . . 74.239999999999995 111.259 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.59 38.71 10.36 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-N 115.846 -0.615 . . . . 55.439999999999998 113.288 175.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -97.97 168.66 10.15 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.059 0.543 . . . . 72.129999999999995 109.73 169.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.6 t 56.69 61.88 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 124.561 1.144 . . . . 75.299999999999997 110.146 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -28.54 70.12 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 114.104 -1.407 . . . . 65.530000000000001 112.604 -178.053 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.14 -20.45 63.16 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.188 0.595 . . . . 51.32 112.168 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.2 m -102.19 13.04 35.75 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.982 0.513 . . . . 74.099999999999994 111.023 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 68.1 mtt -85.24 111.51 19.91 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.78 0.432 . . . . 71.319999999999993 110.312 177.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.5 mp -89.28 134.23 34.14 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 108.505 -0.924 . . . . 75.310000000000002 108.505 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.83 118.3 36.52 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 107.368 -1.345 . . . . 63.130000000000003 107.368 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.646 ' HB3' ' HB2' ' A' ' 59' ' ' CYS . 44.1 t -68.1 117.16 9.57 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 109.425 -0.583 . . . . 71.230000000000004 109.425 175.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -58.98 -24.45 62.72 Favored 'General case' 0 CA--C 1.56 1.363 0 O-C-N 124.671 1.232 . . . . 73.129999999999995 112.195 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.436 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -118.38 45.87 1.21 Allowed Glycine 0 C--N 1.35 1.321 0 CA-C-N 115.387 -0.824 . . . . 54.229999999999997 113.647 175.148 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.701 ' HG ' ' HG ' ' A' ' 82' ' ' CYS . 72.8 m -156.04 -176.02 5.74 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 124.384 1.073 . . . . 65.530000000000001 109.782 171.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -116.52 20.14 14.28 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.868 1.267 . . . . 54.539999999999999 108.359 175.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -121.54 149.43 43.12 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 114.943 -1.026 . . . . 70.409999999999997 110.842 -168.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.9 t -114.11 146.66 39.96 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 107.616 -1.253 . . . . 62.149999999999999 107.616 170.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -142.22 140.9 32.46 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 108.466 -0.939 . . . . 71.109999999999999 108.466 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.731 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 41.9 m80 -76.47 160.59 29.37 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.669 0.606 . . . . 73.0 109.932 174.037 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.466 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 26.1 p -51.93 -48.8 64.07 Favored 'General case' 0 CA--C 1.551 1.01 0 O-C-N 124.558 1.161 . . . . 55.149999999999999 111.552 173.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -81.07 -20.69 41.01 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.618 1.167 . . . . 71.349999999999994 112.993 -174.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 74.5 m -71.19 -14.97 62.44 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 112.561 0.578 . . . . 73.430000000000007 112.561 -178.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.3 mt -113.55 162.31 16.33 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.811 0.844 . . . . 73.209999999999994 110.933 -176.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 pp -121.53 132.69 24.17 Favored Pre-proline 0 CA--C 1.548 0.902 0 N-CA-C 108.847 -0.798 . . . . 72.530000000000001 108.847 173.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -73.29 134.41 35.11 Favored 'Cis proline' 0 C--N 1.376 1.993 0 C-N-CA 124.095 -1.21 . . . . 60.0 112.013 -3.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -60.78 134.71 55.4 Favored 'Trans proline' 0 C--N 1.384 2.4 0 C-N-CA 122.837 2.358 . . . . 42.229999999999997 111.735 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.466 ' O ' ' HB ' ' A' ' 65' ' ' THR . 64.9 mt -88.89 136.1 33.19 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.208 0.603 . . . . 73.420000000000002 110.188 -173.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.5 p -76.8 -15.86 59.62 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.55 0.74 . . . . 75.319999999999993 112.083 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 63.1 m -156.4 172.39 18.59 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.355 1.062 . . . . 74.310000000000002 109.227 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 79.1 mt -85.46 109.5 22.14 Favored Pre-proline 0 CA--C 1.545 0.766 0 N-CA-C 107.017 -1.475 . . . . 70.129999999999995 107.017 172.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -69.69 99.3 0.73 Allowed 'Trans proline' 0 C--N 1.369 1.622 0 C-N-CA 122.767 2.311 . . . . 64.019999999999996 111.373 -177.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt 73.54 -71.3 0.14 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.088 1.355 . . . . 71.510000000000005 111.651 175.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 154.97 -45.79 0.54 Allowed Glycine 0 C--N 1.343 0.968 0 N-CA-C 110.349 -1.1 . . . . 72.230000000000004 110.349 -175.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.28 79.69 2.38 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.596 0.758 . . . . 71.340000000000003 109.624 172.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -103.95 138.53 40.37 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 108.489 -0.93 . . . . 52.119999999999997 108.489 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.542 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 86.1 mt -112.7 144.53 42.06 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.052 0.941 . . . . 70.409999999999997 109.347 174.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.701 ' HG ' ' HG ' ' A' ' 59' ' ' CYS . 29.2 p -66.07 157.72 79.52 Favored Pre-proline 0 CA--C 1.55 0.957 0 C-N-CA 123.25 0.62 . . . . 61.219999999999999 110.308 175.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.449 ' O ' HG23 ' A' ' 87' ' ' VAL . 11.6 Cg_endo -53.72 -27.31 42.05 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.742 2.295 . . . . 63.119999999999997 112.744 176.245 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.6 mtt-85 -71.41 -40.19 70.63 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.036 0.935 . . . . 71.430000000000007 110.367 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 94.3 m -66.84 -30.49 70.69 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.099 0.56 . . . . 71.019999999999996 111.811 176.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.82 -38.35 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 C-N-CA 123.548 0.739 . . . . 74.310000000000002 110.543 175.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 83' ' ' PRO . 73.5 t . . . . . 0 N--CA 1.488 1.426 0 C-N-CA 123.043 0.537 . . . . 72.219999999999999 111.69 -178.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp . . . . . 0 C--O 1.237 0.395 0 N-CA-C 109.558 -0.534 . . . . 74.120000000000005 109.558 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -70.95 85.88 0.7 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.66 1.184 . . . . 65.109999999999999 108.437 173.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.8 mt -68.32 118.06 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 109.042 -0.725 . . . . 71.299999999999997 109.042 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.476 ' HG ' ' HD1' ' A' ' 64' ' ' HIS . 41.5 t -63.65 112.04 2.65 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 108.371 -0.974 . . . . 54.310000000000002 108.371 175.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -53.31 -26.37 18.44 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.114 1.366 . . . . 64.510000000000005 112.909 -169.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.474 ' HB ' ' HB3' ' A' ' 67' ' ' CYS . 55.2 mt -92.82 -38.2 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 C-N-CA 123.509 0.723 . . . . 71.310000000000002 111.769 -174.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.579 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 31.5 p -115.56 0.41 13.3 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 112.697 0.629 . . . . 73.040000000000006 112.697 -170.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 61.18 10.1 2.8 Favored 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 125.575 1.55 . . . . 73.310000000000002 114.048 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -91.69 121.83 33.7 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.92 0.488 . . . . 75.299999999999997 111.653 -177.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.22 10.39 75.04 Favored Glycine 0 N--CA 1.475 1.242 0 N-CA-C 111.546 -0.622 . . . . 63.240000000000002 111.546 171.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -110.28 171.59 7.37 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.761 1.624 . . . . 51.450000000000003 108.13 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.5 t 60.93 43.33 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 CA-C-O 122.941 1.353 . . . . 71.140000000000001 109.176 -172.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.64 -23.27 67.31 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 114.094 -1.412 . . . . 71.239999999999995 111.996 -176.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.1 -37.77 86.33 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.357 0.663 . . . . 64.450000000000003 111.049 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -93.88 4.22 54.25 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.876 0.471 . . . . 52.030000000000001 110.31 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 44.0 ttm -94.93 114.98 26.89 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 123.373 0.669 . . . . 73.439999999999998 109.919 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mp -93.58 136.55 33.74 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 124.729 1.212 . . . . 74.450000000000003 107.981 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.406 HD13 ' N ' ' A' ' 56' ' ' CYS . 1.4 tm? -122.35 145.91 47.82 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 107.415 -1.328 . . . . 65.540000000000006 107.415 -177.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.713 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 1.6 t -82.04 138.97 34.74 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.099 0.56 . . . . 70.150000000000006 110.88 -174.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -73.04 -27.6 61.85 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 121.209 0.528 . . . . 74.140000000000001 110.233 169.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.544 ' O ' ' SG ' ' A' ' 59' ' ' CYS . . . -130.97 107.22 0.73 Allowed Glycine 0 C--N 1.347 1.169 0 CA-C-O 118.764 -1.02 . . . . 54.310000000000002 110.604 178.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.689 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 18.4 p 84.39 104.4 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 C-N-CA 127.682 2.393 . . . . 74.450000000000003 108.735 173.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -73.42 121.35 20.36 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.51 1.124 . . . . 75.340000000000003 111.4 -164.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -155.06 126.67 7.42 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 107.374 -1.343 . . . . 72.319999999999993 107.374 171.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.9 m -91.99 123.19 35.17 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.359 0.663 . . . . 65.219999999999999 110.052 -178.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -130.25 142.36 50.56 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.614 0.766 . . . . 62.140000000000001 109.187 176.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.706 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 35.1 m80 -88.45 158.24 18.42 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 109.164 -0.68 . . . . 75.439999999999998 109.164 165.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.48 HG21 HG12 ' A' ' 75' ' ' ILE . 26.4 p -55.37 -53.66 53.47 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 124.241 0.963 . . . . 64.230000000000004 110.559 172.513 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.638 ' HA ' ' HB3' ' A' ' 71' ' ' PRO . 50.4 p90 -73.53 -22.66 60.05 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 114.773 -1.103 . . . . 65.5 112.684 -176.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.706 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 95.0 m -73.27 -31.58 64.16 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.062 0.545 . . . . 45.009999999999998 111.623 177.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.64 149.62 47.9 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.69 0.396 . . . . 63.149999999999999 109.991 175.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.3 mt -125.63 117.0 24.68 Favored Pre-proline 0 N--CA 1.479 1.002 0 N-CA-C 108.7 -0.852 . . . . 61.450000000000003 108.7 175.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 15.5 Cg_exo -70.19 141.09 65.6 Favored 'Cis proline' 0 C--N 1.382 2.306 0 CA-C-N 120.283 1.137 . . . . 72.219999999999999 113.106 -1.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.638 ' HB3' ' HA ' ' A' ' 66' ' ' PHE . 38.6 Cg_exo -59.7 137.48 77.32 Favored 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 123.45 2.767 . . . . 61.409999999999997 112.956 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.0 mt -81.6 88.26 6.22 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.335 0.654 . . . . 73.549999999999997 109.596 -177.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.3 p -65.08 -41.9 94.61 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 121.899 0.857 . . . . 73.319999999999993 109.035 172.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.5 m -89.09 115.47 26.65 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 114.029 -1.442 . . . . 71.120000000000005 108.261 167.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.48 HG12 HG21 ' A' ' 65' ' ' THR . 28.6 mt -84.46 124.84 73.07 Favored Pre-proline 0 CA--C 1.547 0.846 0 N-CA-C 108.717 -0.845 . . . . 72.129999999999995 108.717 178.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.71 81.15 0.46 Allowed 'Trans proline' 0 C--N 1.369 1.658 0 C-N-CA 122.551 2.167 . . . . 63.329999999999998 111.435 172.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.16 118.58 7.01 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 125.227 1.411 . . . . 63.299999999999997 109.168 177.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 123.68 -77.37 0.36 Allowed Glycine 0 C--O 1.241 0.584 0 O-C-N 123.633 0.583 . . . . 65.049999999999997 112.241 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -139.94 136.97 34.38 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.356 0.662 . . . . 73.200000000000003 109.94 -175.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -150.13 144.41 25.68 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 108.063 -1.088 . . . . 72.030000000000001 108.063 173.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.2 mt -119.58 138.1 53.43 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.559 0.744 . . . . 71.430000000000007 109.891 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.689 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 23.1 p -64.68 156.91 76.67 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 124.534 1.134 . . . . 33.140000000000001 111.861 178.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -46.85 -31.1 10.39 Favored 'Trans proline' 0 C--N 1.375 1.963 0 C-N-CA 123.752 2.968 . . . . 72.439999999999998 114.626 173.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.469 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 22.5 tpp180 -57.18 -43.46 82.67 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.133 0.973 . . . . 74.340000000000003 111.404 175.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.713 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 12.0 m -69.18 -36.35 77.24 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.154 0.581 . . . . 72.329999999999998 111.334 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 52.1 t -63.34 -28.03 44.24 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 115.195 -0.911 . . . . 70.239999999999995 110.595 -177.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.484 1.271 0 C-N-CA 123.503 0.721 . . . . 63.310000000000002 110.659 172.932 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.453 ' HG3' HG12 ' A' ' 40' ' ' ILE . 55.3 tptt . . . . . 0 C--O 1.239 0.528 0 N-CA-C 107.559 -1.275 . . . . 61.439999999999998 107.559 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -52.29 -72.06 0.06 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.503 1.121 . . . . 74.340000000000003 113.15 -174.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.453 HG12 ' HG3' ' A' ' 38' ' ' LYS . 24.3 mm 65.58 149.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 124.605 1.191 . . . . 61.140000000000001 111.885 -176.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.466 ' HG ' ' HG ' ' A' ' 44' ' ' CYS . 49.8 t -65.29 114.72 4.94 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 108.824 -0.806 . . . . 50.310000000000002 108.824 172.217 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.507 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 50.6 t-80 -70.13 -3.48 16.9 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.075 0.95 . . . . 70.530000000000001 112.857 -172.526 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.437 HD12 ' HB3' ' A' ' 67' ' ' CYS . 70.2 mt -107.97 -38.82 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 122.997 0.519 . . . . 55.240000000000002 110.429 174.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.622 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 84.2 m -82.92 -41.57 18.72 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.743 0.417 . . . . 41.240000000000002 111.703 -173.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.6 t30 77.16 -36.58 0.25 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.703 1.601 . . . . 74.099999999999994 112.287 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -79.76 -45.25 19.2 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.237 0.615 . . . . 75.219999999999999 111.002 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.65 -73.44 0.48 Allowed Glycine 0 C--N 1.351 1.368 0 N-CA-C 111.583 -0.607 . . . . 74.030000000000001 111.583 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.6 t70 61.22 -82.62 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 124.457 1.103 . . . . 64.329999999999998 112.345 172.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.4 t -84.41 90.39 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 123.183 0.593 . . . . 63.409999999999997 109.561 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -71.01 -26.61 63.19 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.765 0.826 . . . . 71.25 111.234 175.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.29 -34.7 70.84 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.408 1.083 . . . . 74.030000000000001 112.747 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.5 m -102.91 14.32 32.23 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.568 0.347 . . . . 73.120000000000005 111.601 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 51.9 ttm -85.61 103.95 14.91 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.72 -0.845 . . . . 55.450000000000003 108.72 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.0 mt -83.96 150.58 25.56 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.588 1.155 . . . . 62.329999999999998 109.657 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -113.73 119.06 36.11 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 108.874 -0.788 . . . . 71.430000000000007 108.874 -175.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.846 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 17.4 t -78.95 91.05 4.78 Favored 'General case' 0 C--O 1.245 0.82 0 N-CA-C 108.808 -0.812 . . . . 72.519999999999996 108.808 176.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.98 96.09 3.11 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.561 0.745 . . . . 73.430000000000007 110.294 -176.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 156.81 -47.76 0.47 Allowed Glycine 0 CA--C 1.505 -0.546 0 N-CA-C 110.701 -0.959 . . . . 71.25 110.701 173.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 4.2 p -111.69 -6.07 14.39 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.303 0.641 . . . . 65.450000000000003 111.888 -173.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.8 t70 71.37 81.05 0.15 Allowed 'General case' 0 C--N 1.36 1.046 0 C-N-CA 123.981 0.913 . . . . 74.409999999999997 110.568 174.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -141.09 165.12 28.41 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 109.32 -0.622 . . . . 74.340000000000003 109.32 175.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 71.6 m -144.99 125.97 14.5 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.777 -0.647 . . . . 31.23 109.972 172.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.507 ' CE1' ' HB3' ' A' ' 42' ' ' HIS . 97.7 m-85 -141.89 146.43 35.75 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.88 0.872 . . . . 74.340000000000003 109.436 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.688 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 28.9 m80 -77.8 161.19 27.85 Favored 'General case' 0 C--O 1.248 1.003 0 N-CA-C 109.102 -0.703 . . . . 61.32 109.102 169.159 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.64 HG21 HG12 ' A' ' 75' ' ' ILE . 34.5 p -62.46 -42.93 99.82 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.392 -0.822 . . . . 52.329999999999998 110.119 171.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -90.32 50.81 1.9 Allowed 'General case' 0 CA--C 1.558 1.273 0 CA-C-N 115.058 -0.973 . . . . 74.140000000000001 110.836 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.688 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 83.3 m -134.68 -54.66 0.83 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.679 1.192 . . . . 54.119999999999997 108.561 175.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.8 mt -71.44 105.92 3.74 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 114.4 -1.273 . . . . 63.109999999999999 110.499 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.98 136.69 69.62 Favored Pre-proline 0 CA--C 1.552 1.037 0 C-N-CA 123.052 0.541 . . . . 70.010000000000005 110.834 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -69.48 132.2 21.18 Favored 'Cis proline' 0 C--N 1.383 2.376 0 CA-C-N 119.84 0.979 . . . . 63.420000000000002 111.685 -3.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -51.88 122.05 9.78 Favored 'Trans proline' 0 C--N 1.39 2.719 0 C-N-CA 123.423 2.748 . . . . 51.140000000000001 112.262 -171.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.3 mt -62.61 96.69 0.09 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.285 1.034 . . . . 73.430000000000007 109.814 -177.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.0 m -62.31 -33.38 74.57 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.858 0.863 . . . . 55.420000000000002 111.022 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.6 p -98.84 123.23 42.96 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 123.473 0.709 . . . . 62.100000000000001 109.443 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.64 HG12 HG21 ' A' ' 65' ' ' THR . 25.5 mt -91.61 113.21 57.93 Favored Pre-proline 0 N--CA 1.474 0.746 0 C-N-CA 124.55 1.14 . . . . 65.129999999999995 109.413 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.95 129.31 19.35 Favored 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 122.712 2.275 . . . . 72.150000000000006 112.896 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -78.62 -39.02 38.39 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 108.733 -0.84 . . . . 60.350000000000001 108.733 173.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.83 -178.79 34.78 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 114.874 -1.057 . . . . 53.350000000000001 112.781 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -65.18 142.05 58.46 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.439 0.695 . . . . 74.120000000000005 110.582 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -134.6 144.29 47.82 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.408 0.683 . . . . 62.039999999999999 110.572 -171.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.3 mt -127.13 143.59 51.23 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 124.565 1.146 . . . . 62.240000000000002 109.392 171.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.72 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 10.4 p -71.45 142.66 86.85 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 123.527 0.731 . . . . 72.109999999999999 110.861 178.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -47.65 -29.46 10.84 Favored 'Trans proline' 0 C--N 1.384 2.406 0 C-N-CA 123.71 2.94 . . . . 74.299999999999997 113.888 174.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -49.1 -60.39 2.83 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.549 1.14 . . . . 64.519999999999996 111.14 173.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 23.1 m -80.8 -24.17 38.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.205 -0.907 . . . . 51.32 111.654 -170.197 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.01 -30.82 48.4 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.079 0 CA-C-O 121.254 0.55 . . . . 73.129999999999995 109.908 172.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 67.0 t . . . . . 0 CA--C 1.551 1.009 0 C-N-CA 123.418 0.687 . . . . 75.140000000000001 110.967 174.449 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.1 tttm . . . . . 0 CA--C 1.544 0.743 0 N-CA-C 108.701 -0.852 . . . . 74.120000000000005 108.701 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 61.1 69.46 0.67 Allowed 'General case' 0 C--N 1.36 1.032 0 C-N-CA 124.255 1.022 . . . . 75.109999999999999 108.933 -169.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.3 mt -94.97 155.96 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 113.922 -1.49 . . . . 71.319999999999993 110.926 -171.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.741 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 46.1 t -65.76 107.76 1.89 Allowed 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 108.925 -0.768 . . . . 64.439999999999998 108.925 173.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -71.99 2.63 5.37 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 125.332 1.453 . . . . 72.329999999999998 111.907 -171.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.9 mt -116.15 -32.07 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 C-N-CA 123.504 0.722 . . . . 41.539999999999999 110.201 174.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.521 ' HG ' ' HG ' ' A' ' 67' ' ' CYS . 91.7 m -82.78 -20.02 36.62 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 118.82 -0.61 . . . . 72.400000000000006 111.508 -178.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 76.9 -40.34 0.36 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 125.074 1.35 . . . . 64.230000000000004 112.065 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -104.71 165.33 11.14 Favored 'General case' 0 C--O 1.246 0.88 0 C-N-CA 124.024 0.93 . . . . 71.120000000000005 110.51 173.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.62 -41.62 99.04 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 115.168 -0.924 . . . . 70.239999999999995 112.625 176.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.9 t70 62.02 -88.81 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.077 1.351 . . . . 72.409999999999997 111.367 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.8 t -115.22 99.86 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 123.478 0.711 . . . . 51.100000000000001 109.319 175.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -67.73 -25.38 65.62 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.257 0.623 . . . . 74.310000000000002 111.845 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -64.64 -29.5 70.51 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.331 1.052 . . . . 72.329999999999998 112.646 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.3 m -111.15 13.13 21.87 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.207 0.603 . . . . 54.219999999999999 111.256 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 48.2 ttm -81.32 106.98 13.72 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 123.161 0.584 . . . . 74.430000000000007 109.778 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 53.3 mt -85.25 141.21 30.27 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 125.013 1.325 . . . . 73.430000000000007 109.341 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -116.18 120.96 40.68 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.573 0.749 . . . . 72.349999999999994 109.439 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.672 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 41.8 t -72.99 114.83 11.58 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 108.643 -0.873 . . . . 43.310000000000002 108.643 176.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -53.32 -43.1 67.36 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 124.354 1.034 . . . . 73.430000000000007 110.832 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.488 ' O ' ' SG ' ' A' ' 59' ' ' CYS . . . -99.31 43.22 1.86 Allowed Glycine 0 C--N 1.344 1.0 0 CA-C-N 115.744 -0.662 . . . . 70.109999999999999 113.467 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 90.3 m -162.32 -176.42 5.08 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.461 0.705 . . . . 70.400000000000006 110.773 172.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -100.64 -22.39 14.95 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.249 1.42 . . . . 65.450000000000003 109.445 171.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.19 148.27 48.84 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 125.048 1.339 . . . . 71.109999999999999 111.756 -175.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.6 m -130.64 146.82 52.22 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 114.399 -1.273 . . . . 73.310000000000002 107.759 170.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.433 ' HD2' ' HH2' ' A' ' 80' ' ' TRP . 99.0 m-85 -139.45 158.65 43.77 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.021 0.928 . . . . 75.409999999999997 108.512 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.814 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 38.3 m80 -86.68 166.65 15.17 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 108.758 -0.83 . . . . 70.439999999999998 108.758 167.278 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.653 HG21 HD13 ' A' ' 75' ' ' ILE . 10.1 p -62.16 -43.39 98.94 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.477 -0.783 . . . . 70.409999999999997 109.936 169.305 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -91.48 40.59 1.04 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.163 0.985 . . . . 72.329999999999998 112.43 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.814 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 88.0 m -126.55 -50.75 1.5 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.36 0.664 . . . . 72.230000000000004 110.267 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.554 HD11 ' HZ2' ' A' ' 80' ' ' TRP . 97.0 mt -61.48 153.32 27.6 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.487 -0.779 . . . . 64.019999999999996 111.487 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mp -111.24 115.65 52.12 Favored Pre-proline 0 CA--C 1.548 0.878 0 N-CA-C 107.909 -1.145 . . . . 74.230000000000004 107.909 174.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -79.43 147.35 78.8 Favored 'Cis proline' 0 C--N 1.383 2.389 0 CA-C-N 120.114 1.076 . . . . 64.010000000000005 112.895 2.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.55 123.91 11.0 Favored 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 122.326 2.017 . . . . 72.329999999999998 111.684 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.456 ' O ' ' HB ' ' A' ' 65' ' ' THR . 45.0 mt -66.31 108.79 2.44 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.735 0.814 . . . . 65.129999999999995 109.051 178.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.4 p -85.0 6.65 24.29 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.99 0.916 . . . . 65.099999999999994 111.288 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.6 m -140.27 140.87 35.83 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 124.399 1.079 . . . . 55.409999999999997 109.133 172.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.653 HD13 HG21 ' A' ' 65' ' ' THR . 29.3 mm -74.3 118.71 71.92 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 123.715 0.806 . . . . 74.140000000000001 110.088 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.57 108.66 1.26 Allowed 'Trans proline' 0 C--N 1.378 2.13 0 C-N-CA 122.686 2.258 . . . . 71.319999999999993 110.951 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -93.15 107.99 19.68 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.303 -0.862 . . . . 70.109999999999999 110.25 -174.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 139.89 -137.78 8.69 Favored Glycine 0 C--N 1.34 0.766 0 N-CA-C 110.765 -0.934 . . . . 74.400000000000006 110.765 -172.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -101.86 125.65 48.58 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 108.629 -0.878 . . . . 72.239999999999995 108.629 173.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.554 ' HZ2' HD11 ' A' ' 68' ' ' LEU . 78.6 t90 -107.65 134.53 50.5 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 123.672 0.789 . . . . 71.519999999999996 108.961 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.468 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 95.8 mt -113.36 144.27 43.05 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.985 0.914 . . . . 72.400000000000006 109.644 174.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 27.9 p -65.41 154.47 87.7 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 123.412 0.685 . . . . 73.099999999999994 110.949 174.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -51.58 -25.81 20.72 Favored 'Trans proline' 0 C--N 1.373 1.861 0 C-N-CA 123.092 2.528 . . . . 75.540000000000006 113.844 172.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -68.86 -40.84 79.12 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.488 0.715 . . . . 75.340000000000003 110.508 176.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.715 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 80.7 m -68.89 -28.34 66.59 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 122.861 0.464 . . . . 74.5 111.635 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.32 -39.33 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 O-C-N 124.175 0.922 . . . . 65.349999999999994 110.322 174.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 N--CA 1.485 1.287 0 C-N-CA 123.501 0.721 . . . . 71.5 110.634 177.184 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 tptp . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.833 0.349 . . . . 71.510000000000005 110.872 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.608 ' HB3' ' HG2' ' A' ' 53' ' ' MET . 99.0 m-85 -75.77 93.19 3.1 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.498 0.719 . . . . 74.530000000000001 110.204 -173.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.3 mt -90.28 111.15 22.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 108.241 -1.022 . . . . 71.329999999999998 108.241 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 47.4 t -58.05 124.29 18.81 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.393 0.677 . . . . 74.140000000000001 109.765 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -75.89 -8.19 56.32 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.658 0.783 . . . . 73.200000000000003 111.499 -174.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.6 mt -93.94 -40.35 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.059 0 C-N-CA 123.63 0.772 . . . . 71.439999999999998 109.07 175.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.743 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 56.5 m -84.06 -32.98 24.55 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.894 0.878 . . . . 72.129999999999995 112.533 -176.007 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 63.66 13.21 7.17 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 125.106 1.363 . . . . 72.219999999999999 111.385 -164.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -110.65 -72.74 0.71 Allowed 'General case' 0 C--N 1.354 0.786 0 C-N-CA 123.681 0.793 . . . . 74.040000000000006 109.295 -176.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.72 43.28 4.86 Favored Glycine 0 C--N 1.35 1.353 0 N-CA-C 110.588 -1.005 . . . . 64.519999999999996 110.588 -168.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -44.78 -72.33 0.06 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.665 1.586 . . . . 72.129999999999995 112.035 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.402 HG12 ' H ' ' A' ' 52' ' ' SER . 17.2 t -106.88 90.98 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 108.849 -0.796 . . . . 74.140000000000001 108.849 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.486 ' HA ' ' HB2' ' A' ' 53' ' ' MET . 54.8 mt-10 -73.09 -21.35 60.77 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.578 0.751 . . . . 74.150000000000006 110.623 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.11 -34.91 78.62 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.228 1.011 . . . . 62.240000000000002 110.927 173.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.402 ' H ' HG12 ' A' ' 49' ' ' VAL . 48.0 m -103.94 20.05 18.88 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.792 0.837 . . . . 74.140000000000001 110.92 178.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.608 ' HG2' ' HB3' ' A' ' 39' ' ' TYR . 53.0 tpp -77.03 125.16 28.86 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 116.006 -0.543 . . . . 75.349999999999994 109.921 178.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.467 HD11 HG22 ' A' ' 65' ' ' THR . 85.4 mt -88.51 115.96 26.4 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.315 -0.994 . . . . 74.129999999999995 108.315 168.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -99.85 116.71 32.55 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.233 -1.766 . . . . 72.230000000000004 106.233 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 41.6 t -65.48 105.55 1.21 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.355 -0.609 . . . . 53.450000000000003 109.355 174.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.43 -33.31 74.56 Favored 'General case' 0 N--CA 1.483 1.209 0 O-C-N 123.741 0.651 . . . . 74.349999999999994 110.964 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.01 28.72 8.29 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 115.318 -0.855 . . . . 70.340000000000003 112.962 178.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 85.1 m -145.97 -78.48 0.18 Allowed 'General case' 0 C--N 1.353 0.722 0 C-N-CA 123.87 0.868 . . . . 51.420000000000002 108.989 172.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.4 t70 140.8 -24.95 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 126.997 2.119 . . . . 72.430000000000007 108.103 -162.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -74.89 134.09 41.69 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.712 0.634 . . . . 51.420000000000002 112.712 -162.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.55 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 66.0 m -89.07 136.13 33.18 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.864 0.865 . . . . 70.239999999999995 110.235 178.062 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -141.48 134.11 28.51 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.891 1.276 . . . . 73.329999999999998 108.415 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.688 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 29.0 m170 -78.21 147.86 34.26 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 118.777 0.717 . . . . 60.439999999999998 109.431 166.257 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.65 HG21 HG12 ' A' ' 75' ' ' ILE . 32.0 p -55.37 -48.59 74.06 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.07 0.948 . . . . 61.43 110.485 173.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -82.94 -3.33 56.95 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.919 1.287 . . . . 71.230000000000004 113.18 -173.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.743 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 74.5 m -98.99 -17.34 18.35 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 122.956 0.502 . . . . 52.32 111.527 176.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 42.0 mt -71.04 164.4 25.64 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.488 0.715 . . . . 73.329999999999998 111.496 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.7 mt -130.07 111.63 17.03 Favored Pre-proline 0 CA--C 1.553 1.066 0 N-CA-C 108.863 -0.792 . . . . 72.420000000000002 108.863 173.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 71.6 Cg_endo -74.16 141.16 70.94 Favored 'Cis proline' 0 C--N 1.377 2.064 0 CA-C-N 120.01 1.039 . . . . 70.230000000000004 112.259 -0.032 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 70' ' ' PRO . 29.5 Cg_exo -60.78 127.22 21.85 Favored 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 122.706 2.27 . . . . 71.310000000000002 111.171 178.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.6 mt -81.84 100.08 9.39 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.31 0.644 . . . . 73.409999999999997 109.746 -177.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.3 m -64.06 -26.2 68.45 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.715 0.806 . . . . 61.439999999999998 110.858 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.5 m -110.66 132.83 53.86 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 124.215 1.006 . . . . 73.340000000000003 108.926 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.65 HG12 HG21 ' A' ' 65' ' ' THR . 50.6 mt -83.33 124.13 76.26 Favored Pre-proline 0 CA--C 1.548 0.886 0 N-CA-C 109.133 -0.691 . . . . 75.450000000000003 109.133 177.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -61.16 140.43 89.15 Favored 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 122.585 2.19 . . . . 64.329999999999998 110.74 168.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.468 ' O ' ' HD2' ' A' ' 77' ' ' LYS . 0.2 OUTLIER -61.87 97.43 0.08 Allowed 'General case' 0 CA--C 1.56 1.329 0 CA-C-O 121.931 0.872 . . . . 74.329999999999998 111.034 -176.891 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.03 -76.9 2.18 Favored Glycine 0 C--N 1.34 0.785 0 CA-C-N 115.26 -0.882 . . . . 71.530000000000001 113.765 164.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -106.85 120.16 41.27 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.902 0.881 . . . . 73.409999999999997 110.845 -173.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.426 ' CH2' ' HA ' ' A' ' 82' ' ' CYS . 74.4 t90 -121.99 155.42 35.6 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.326 1.451 . . . . 71.340000000000003 109.442 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.456 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 81.1 mt -115.22 136.48 53.06 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.827 0.851 . . . . 64.239999999999995 110.121 177.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.65 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 30.4 p -59.45 154.22 45.0 Favored Pre-proline 0 CA--C 1.553 1.086 0 C-N-CA 123.536 0.735 . . . . 73.25 111.324 177.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -49.89 -26.59 14.26 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 123.47 2.78 . . . . 51.43 113.631 172.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -75.68 -28.4 58.65 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.019 0.528 . . . . 74.299999999999997 111.593 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.65 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 86.3 m -79.46 -38.05 35.51 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 122.824 0.45 . . . . 74.340000000000003 110.266 174.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.7 t -70.1 -44.67 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 124.241 1.016 . . . . 60.200000000000003 111.29 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.5 t . . . . . 0 N--CA 1.484 1.253 0 C-N-CA 123.006 0.522 . . . . 55.219999999999999 110.373 175.085 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.431 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 1.8 mppt? . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 106.53 -1.656 . . . . 63.219999999999999 106.53 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -74.0 -47.69 35.44 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.657 -0.497 . . . . 75.239999999999995 109.657 171.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.1 mt 66.92 152.55 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.559 1.304 0 C-N-CA 125.131 1.372 . . . . 74.430000000000007 111.71 -176.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.581 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 41.0 t -77.51 110.6 12.42 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 108.906 -0.776 . . . . 53.240000000000002 108.906 174.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -58.76 -16.89 18.88 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 125.141 1.376 . . . . 74.439999999999998 113.519 -171.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.5 mt -101.02 -39.76 7.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 123.292 0.637 . . . . 45.5 111.121 -175.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.537 ' HG ' ' HG ' ' A' ' 67' ' ' CYS . 32.1 p -105.27 2.4 28.95 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.945 -0.472 . . . . 62.32 112.269 -171.585 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 75.85 -21.54 0.31 Allowed 'General case' 0 N--CA 1.499 1.98 0 C-N-CA 125.071 1.348 . . . . 72.340000000000003 113.76 170.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -114.54 148.33 38.12 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 121.612 -0.68 . . . . 74.400000000000006 110.753 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.96 47.3 1.39 Allowed Glycine 0 C--N 1.344 1.0 0 CA-C-N 115.285 -0.87 . . . . 61.140000000000001 111.142 173.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -94.94 160.18 14.7 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.37 1.068 . . . . 72.299999999999997 108.626 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.0 t 58.07 55.89 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 CA-C-O 122.548 1.166 . . . . 74.319999999999993 108.81 -174.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 53' ' ' MET . 34.3 mt-10 -63.43 -23.6 67.47 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 114.034 -1.439 . . . . 72.340000000000003 112.916 -173.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -72.76 -21.3 61.03 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.255 0.622 . . . . 75.430000000000007 112.007 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.4 t -96.54 -5.41 39.4 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 122.757 0.423 . . . . 74.319999999999993 111.965 -177.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.563 ' HA ' ' HA ' ' A' ' 64' ' ' HIS . 22.3 ptp -88.8 128.33 35.64 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-O 121.412 0.625 . . . . 61.219999999999999 109.796 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.484 ' HB3' ' HB3' ' A' ' 80' ' ' TRP . 87.2 mt -97.59 132.11 43.55 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.631 -1.168 . . . . 75.040000000000006 108.177 175.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.8 131.55 46.64 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 107.672 -1.233 . . . . 74.430000000000007 107.672 -175.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 41.2 t -79.89 117.39 20.71 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 122.952 0.501 . . . . 74.540000000000006 109.996 176.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.36 -36.32 81.88 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.113 0.965 . . . . 72.530000000000001 111.164 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -93.51 25.01 23.02 Favored Glycine 0 C--N 1.354 1.543 0 CA-C-N 115.716 -0.674 . . . . 61.409999999999997 113.732 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.585 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 76.2 m -150.56 -169.37 3.37 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.83 1.252 . . . . 73.439999999999998 108.379 173.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -116.21 -4.35 11.92 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.708 0.803 . . . . 72.150000000000006 110.13 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -92.56 154.64 18.3 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.334 0.654 . . . . 74.25 111.56 -165.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.5 p -118.16 127.93 54.23 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.689 1.196 . . . . 61.229999999999997 109.957 175.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -126.18 125.2 42.07 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.925 0.89 . . . . 75.420000000000002 109.541 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.682 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 49.4 m80 -67.14 152.64 45.4 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.351 0.26 . . . . 74.319999999999993 110.64 174.225 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.9 p -59.49 -42.63 92.57 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 124.291 0.994 . . . . 44.119999999999997 110.735 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -79.93 -30.65 39.98 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.803 0.841 . . . . 64.129999999999995 112.678 -177.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.682 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 88.6 m -64.5 -27.79 69.21 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.072 0.549 . . . . 64.030000000000001 111.906 178.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.6 mt -76.93 137.5 39.13 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.247 0.619 . . . . 75.409999999999997 110.056 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.6 mp -121.25 118.18 30.17 Favored Pre-proline 0 CA--C 1.56 1.357 0 N-CA-C 108.388 -0.967 . . . . 72.200000000000003 108.388 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.03 146.84 85.91 Favored 'Cis proline' 0 C--N 1.385 2.48 0 CA-C-N 120.509 1.218 . . . . 54.530000000000001 111.697 -3.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.05 147.0 91.72 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.304 2.003 . . . . 64.150000000000006 112.294 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.43 HD12 HD12 ' A' ' 54' ' ' LEU . 72.8 mt -74.07 79.19 1.72 Allowed 'General case' 0 C--O 1.238 0.492 0 N-CA-C 108.88 -0.785 . . . . 74.439999999999998 108.88 174.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 59.9 p -69.58 -30.47 68.25 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 108.899 -0.778 . . . . 74.5 108.899 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.9 p -96.86 108.56 21.27 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.299 -0.864 . . . . 64.409999999999997 109.109 163.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 63.3 mt -83.92 126.47 70.33 Favored Pre-proline 0 CA--C 1.546 0.826 0 CA-C-N 114.685 -1.143 . . . . 73.439999999999998 108.315 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -78.85 71.43 6.97 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.692 2.261 . . . . 73.400000000000006 113.629 -169.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? 72.5 -36.58 0.36 Allowed 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 125.866 1.667 . . . . 65.430000000000007 114.05 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.54 -47.53 0.39 Allowed Glycine 0 C--N 1.34 0.803 0 N-CA-C 110.763 -0.935 . . . . 52.43 110.763 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.64 144.48 26.64 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.956 0.902 . . . . 73.25 110.152 178.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.484 ' HB3' ' HB3' ' A' ' 54' ' ' LEU . 60.4 t90 -141.59 143.13 33.54 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.577 0.751 . . . . 74.310000000000002 110.375 -172.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.2 mt -103.28 135.61 44.6 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.282 0.633 . . . . 75.239999999999995 109.429 171.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 29.7 p -65.98 148.48 98.32 Favored Pre-proline 0 CA--C 1.548 0.871 0 O-C-N 123.945 0.778 . . . . 75.420000000000002 110.777 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.452 ' O ' HG23 ' A' ' 87' ' ' VAL . 88.9 Cg_exo -47.26 -34.71 18.86 Favored 'Trans proline' 0 C--N 1.381 2.256 0 C-N-CA 123.623 2.882 . . . . 73.340000000000003 113.028 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -57.31 -48.48 78.84 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.867 1.267 . . . . 74.310000000000002 111.452 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 80.1 m -65.63 -35.88 82.08 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.481 0.712 . . . . 54.119999999999997 111.2 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.0 t -72.64 -25.36 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 CA-C-N 114.31 -1.314 . . . . 64.209999999999994 111.489 -178.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 83' ' ' PRO . 78.3 t . . . . . 0 N--CA 1.493 1.7 0 C-N-CA 123.347 0.659 . . . . 72.439999999999998 111.058 175.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt . . . . . 0 C--O 1.236 0.35 0 CA-C-O 120.727 0.298 . . . . 74.030000000000001 110.957 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.454 ' HE1' ' HG ' ' A' ' 55' ' ' LEU . 89.5 m-85 -79.17 79.56 5.58 Favored 'General case' 0 C--N 1.348 0.51 0 N-CA-C 108.544 -0.91 . . . . 75.409999999999997 108.544 170.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 83.5 mt -104.76 124.15 59.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 108.371 -0.974 . . . . 74.040000000000006 108.371 178.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.759 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 47.0 t -71.85 112.12 7.68 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 109.119 -0.697 . . . . 64.319999999999993 109.119 175.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -69.57 1.5 4.03 Favored 'General case' 0 CA--C 1.561 1.388 0 N-CA-C 113.45 0.908 . . . . 75.239999999999995 113.45 -173.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.403 HG13 ' HE1' ' A' ' 63' ' ' TYR . 75.3 mt -113.08 -29.55 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.926 0.89 . . . . 62.32 110.593 174.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.516 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 56.6 m -95.9 -23.98 16.63 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 112.171 0.434 . . . . 72.140000000000001 112.171 -175.428 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 t30 72.36 -50.76 0.7 Allowed 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 125.625 1.57 . . . . 73.310000000000002 111.201 -167.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -75.52 128.3 34.99 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 123.877 0.871 . . . . 53.399999999999999 111.321 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.21 40.81 2.45 Favored Glycine 0 C--N 1.349 1.272 0 N-CA-C 111.126 -0.789 . . . . 74.510000000000005 111.126 172.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -64.03 -53.05 56.09 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 125.475 1.51 . . . . 73.439999999999998 110.651 -174.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.9 t -92.1 73.54 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 CA-C-N 115.185 -0.916 . . . . 74.430000000000007 109.463 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -69.79 -31.94 70.14 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.896 0.479 . . . . 75.409999999999997 110.911 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -64.29 -35.11 79.78 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.667 0.787 . . . . 61.130000000000003 112.421 -177.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -101.27 20.22 16.22 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.118 0.485 . . . . 54.439999999999998 110.021 178.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.507 ' SD ' ' HB3' ' A' ' 62' ' ' SER . 45.0 ttm -105.18 138.08 41.94 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.936 0.894 . . . . 74.099999999999994 109.078 175.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.42 HD11 ' HD2' ' A' ' 76' ' ' PRO . 93.9 mt -106.91 157.07 18.05 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.143 0.977 . . . . 72.510000000000005 110.065 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.454 ' HG ' ' HE1' ' A' ' 39' ' ' TYR . 3.4 tm? -128.78 139.98 51.93 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 107.761 -1.199 . . . . 74.430000000000007 107.761 -175.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.504 ' SG ' ' HB3' ' A' ' 82' ' ' CYS . 74.3 m -82.48 125.64 31.33 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.518 0.727 . . . . 54.340000000000003 111.932 -176.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -68.91 -31.86 71.07 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.367 0.667 . . . . 72.340000000000003 111.121 171.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.31 -75.28 1.28 Allowed Glycine 0 C--N 1.35 1.316 0 CA-C-N 115.707 -0.679 . . . . 51.32 113.127 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.8 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 31.1 p -82.32 -178.84 7.2 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.795 0.838 . . . . 41.149999999999999 111.797 -177.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -114.65 102.78 10.35 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.073 0.949 . . . . 73.530000000000001 109.964 -178.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.426 ' OD2' ' SG ' ' A' ' 59' ' ' CYS . 1.5 p30 -177.5 161.34 1.72 Allowed 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 124.766 1.226 . . . . 73.519999999999996 109.429 177.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.507 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 28.5 m -129.07 143.04 50.73 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 124.015 0.926 . . . . 45.350000000000001 109.24 172.371 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.403 ' HE1' HG13 ' A' ' 43' ' ' ILE . 70.1 m-85 -146.13 139.27 25.84 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.592 0.757 . . . . 71.430000000000007 109.988 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.763 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 35.5 m80 -74.81 144.52 43.47 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 108.334 -0.988 . . . . 70.310000000000002 108.334 171.283 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.44 HG21 HG12 ' A' ' 75' ' ' ILE . 43.0 p -59.35 -46.75 87.78 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 124.161 0.913 . . . . 65.010000000000005 111.426 177.397 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -70.83 -24.3 62.51 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.121 -0.945 . . . . 75.519999999999996 112.998 -178.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.763 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 17.1 p -97.01 20.79 10.66 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.089 0.471 . . . . 71.310000000000002 111.535 -177.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.8 mt -108.84 159.53 16.71 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.116 0.966 . . . . 71.450000000000003 109.786 173.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.2 mt -127.37 114.35 21.36 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 123.382 0.673 . . . . 74.109999999999999 109.231 173.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -74.86 141.87 73.06 Favored 'Cis proline' 0 C--N 1.382 2.336 0 C-N-CA 124.448 -1.063 . . . . 74.319999999999993 112.424 -1.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.56 133.4 29.82 Favored 'Trans proline' 0 C--N 1.382 2.309 0 C-N-CA 122.53 2.154 . . . . 72.0 111.806 -177.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.9 mt -83.13 76.37 9.86 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.485 0.66 . . . . 74.310000000000002 109.46 -177.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.7 p -60.09 -35.06 74.36 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.922 -1.036 . . . . 70.219999999999999 110.385 175.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.4 m -89.0 104.41 16.95 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 107.834 -1.172 . . . . 71.519999999999996 107.834 165.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.44 HG12 HG21 ' A' ' 65' ' ' THR . 51.0 mt -90.12 124.01 64.39 Favored Pre-proline 0 N--CA 1.475 0.795 0 C-N-CA 124.466 1.107 . . . . 61.409999999999997 109.999 -175.276 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.42 ' HD2' HD11 ' A' ' 54' ' ' LEU . 85.8 Cg_endo -91.01 96.17 0.23 Allowed 'Trans proline' 0 C--N 1.374 1.875 0 C-N-CA 122.744 2.296 . . . . 64.540000000000006 111.137 169.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -71.27 66.03 0.43 Allowed 'General case' 0 CA--C 1.565 1.522 0 CA-C-O 121.335 0.588 . . . . 74.420000000000002 111.956 176.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -158.65 -158.92 9.3 Favored Glycine 0 C--N 1.342 0.911 0 N-CA-C 110.797 -0.921 . . . . 65.310000000000002 110.797 165.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -61.01 104.1 0.33 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.438 0.695 . . . . 73.099999999999994 110.58 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.426 ' O ' ' HA ' ' A' ' 56' ' ' CYS . 65.3 t90 -106.58 155.56 19.5 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.229 1.012 . . . . 74.439999999999998 109.44 -179.264 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.1 mt -119.21 127.38 53.22 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.579 0.752 . . . . 54.229999999999997 109.471 177.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.8 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 16.4 p -83.65 167.51 27.93 Favored Pre-proline 0 N--CA 1.477 0.896 0 C-N-CA 123.026 0.53 . . . . 72.140000000000001 110.105 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -42.42 -40.12 6.99 Favored 'Trans proline' 0 C--N 1.378 2.098 0 C-N-CA 122.909 2.406 . . . . 75.439999999999998 113.638 168.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.696 HH11 ' HB2' ' A' ' 59' ' ' CYS . 60.5 ttt-85 -62.29 -42.63 99.52 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.255 0.622 . . . . 65.319999999999993 111.509 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.667 ' HG ' ' HG ' ' A' ' 59' ' ' CYS . 69.8 m -59.18 -45.08 91.98 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.173 0.511 . . . . 71.430000000000007 110.659 175.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 43.8 t -67.96 -33.07 59.1 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.161 0 CA-C-N 114.782 -1.099 . . . . 61.530000000000001 111.202 -177.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 52.9 t . . . . . 0 N--CA 1.482 1.139 0 C-N-CA 123.228 0.611 . . . . 62.43 111.437 178.013 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.8 pttt . . . . . 0 C--O 1.24 0.597 0 CA-C-O 121.164 0.507 . . . . 75.450000000000003 109.872 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -118.78 -60.44 1.76 Allowed 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.539 -0.911 . . . . 65.150000000000006 108.539 170.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.477 HG23 ' O ' ' A' ' 45' ' ' ASN . 28.3 mt 65.26 136.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 124.836 1.335 . . . . 71.349999999999994 110.476 -175.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.853 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 42.7 t -75.9 122.3 23.93 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 109.018 -0.734 . . . . 63.439999999999998 109.018 -179.087 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -58.9 -23.38 61.05 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.336 1.055 . . . . 73.219999999999999 112.068 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.527 HD13 ' HB3' ' A' ' 67' ' ' CYS . 3.3 mp -108.09 -51.18 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.383 0.673 . . . . 73.040000000000006 110.338 -171.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.709 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 26.2 p -118.63 23.24 11.6 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 111.987 0.366 . . . . 71.099999999999994 111.987 -166.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.477 ' O ' HG23 ' A' ' 40' ' ' ILE . 41.3 m-80 75.42 -65.73 0.32 Allowed 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 125.859 1.663 . . . . 72.329999999999998 112.971 167.411 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -59.83 124.52 20.43 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.892 0.877 . . . . 62.109999999999999 112.822 -165.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.06 40.33 2.45 Favored Glycine 0 C--N 1.349 1.282 0 N-CA-C 109.033 -1.627 . . . . 71.219999999999999 109.033 170.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -97.15 -50.98 4.38 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 125.878 1.671 . . . . 65.420000000000002 109.093 -172.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.5 t -85.73 70.52 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 115.061 -0.972 . . . . 71.310000000000002 108.72 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -78.64 -20.77 49.55 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.418 -0.81 . . . . 75.420000000000002 111.069 -177.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.23 -34.62 78.51 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.27 0.628 . . . . 64.400000000000006 111.826 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.8 m -102.05 2.76 38.03 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.278 0.631 . . . . 70.540000000000006 110.39 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.426 ' HA ' ' HA ' ' A' ' 64' ' ' HIS . 51.5 ttm -86.57 113.31 22.37 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 123.017 0.527 . . . . 72.329999999999998 110.228 177.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 mp -87.19 127.8 35.15 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 107.977 -1.12 . . . . 51.420000000000002 107.977 175.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -99.75 125.62 45.68 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 106.695 -1.595 . . . . 61.539999999999999 106.695 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.896 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 19.8 t -82.34 119.05 23.65 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.013 0.525 . . . . 72.310000000000002 110.945 -173.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.58 -35.23 63.02 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.362 1.065 . . . . 62.219999999999999 111.401 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.02 7.64 59.31 Favored Glycine 0 C--N 1.348 1.213 0 N-CA-C 115.112 0.805 . . . . 71.329999999999998 115.112 -178.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.612 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 22.2 p -159.69 -158.11 0.63 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 108.412 -0.959 . . . . 73.109999999999999 108.412 177.148 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -101.1 -24.91 14.21 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.073 0.949 . . . . 74.409999999999997 109.85 177.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.55 158.17 15.68 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.053 0.941 . . . . 74.120000000000005 112.837 -165.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.1 t -141.74 123.11 14.87 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.006 0.922 . . . . 72.120000000000005 109.42 -175.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.428 ' CE2' HD11 ' A' ' 43' ' ' ILE . 36.5 m-85 -122.72 166.13 15.42 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.044 1.338 . . . . 72.349999999999994 109.883 -176.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.728 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 32.5 m80 -99.17 178.24 4.98 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 108.987 -0.746 . . . . 70.129999999999995 108.987 164.141 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.5 p -60.14 -52.59 64.68 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 114.634 -1.166 . . . . 63.409999999999997 108.807 161.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -95.28 73.55 3.33 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.25 1.02 . . . . 73.209999999999994 109.737 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.853 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 55.5 m -148.88 -13.97 0.32 Allowed 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 115.022 -0.99 . . . . 72.340000000000003 111.909 175.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 mp -110.61 179.88 3.95 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.035 0.534 . . . . 61.229999999999997 110.376 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . 1.5 pt? -132.78 113.32 13.88 Favored Pre-proline 0 CA--C 1.554 1.113 0 N-CA-C 108.494 -0.928 . . . . 65.209999999999994 108.494 173.247 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 69' ' ' LEU . 91.3 Cg_endo -78.24 142.71 70.59 Favored 'Cis proline' 0 C--N 1.375 1.923 0 C-N-CA 123.464 -1.473 . . . . 71.219999999999999 112.909 -2.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.99 127.22 23.49 Favored 'Trans proline' 0 C--N 1.383 2.363 0 C-N-CA 122.682 2.255 . . . . 74.439999999999998 111.748 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.82 111.07 2.29 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.626 0.77 . . . . 64.319999999999993 110.959 -174.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.2 t -74.5 -23.38 58.84 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.954 -0.566 . . . . 63.450000000000003 111.25 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.8 m -128.99 152.26 48.79 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.809 0.844 . . . . 74.120000000000005 110.557 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.2 mm -77.95 115.76 53.05 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 123.15 0.58 . . . . 72.140000000000001 109.452 172.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -80.16 86.92 1.58 Allowed 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.426 2.084 . . . . 72.25 110.838 175.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 91.1 mttt 73.49 -68.17 0.23 Allowed 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 126.06 1.744 . . . . 51.450000000000003 111.206 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 151.96 -45.62 0.61 Allowed Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 107.804 -2.118 . . . . 75.450000000000003 107.804 -174.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.45 80.8 1.92 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 121.88 0.848 . . . . 44.119999999999997 109.363 169.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 61.4 t90 -106.33 124.96 50.4 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 108.046 -1.094 . . . . 74.140000000000001 108.046 177.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.6 mt -94.38 122.17 36.67 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 108.835 -0.802 . . . . 63.420000000000002 108.835 176.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.612 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 27.4 p -66.51 158.95 76.54 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 123.232 0.613 . . . . 64.200000000000003 110.184 170.475 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.81 -18.57 49.7 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.328 2.019 . . . . 74.409999999999997 113.244 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.539 ' HB3' ' SG ' ' A' ' 82' ' ' CYS . 75.4 ttt180 -63.18 -36.16 82.7 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.569 0.748 . . . . 74.420000000000002 111.32 174.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.896 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 45.2 m -77.38 -37.41 52.14 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.452 0.701 . . . . 73.219999999999999 111.807 -176.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.6 t -83.64 -39.0 14.68 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 CA-C-N 115.322 -0.854 . . . . 62.509999999999998 110.43 -174.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.483 1.199 0 C-N-CA 123.163 0.585 . . . . 43.130000000000003 110.593 -177.886 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.457 ' HB3' HG13 ' A' ' 40' ' ' ILE . 36.0 tttt . . . . . 0 CA--C 1.557 1.225 0 N-CA-C 107.352 -1.351 . . . . 72.540000000000006 107.352 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 56.43 32.81 21.35 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 115.112 -0.949 . . . . 65.340000000000003 110.171 -164.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.457 HG13 ' HB3' ' A' ' 38' ' ' LYS . 59.9 mt -77.42 125.28 37.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 CA-C-N 114.714 -1.13 . . . . 73.510000000000005 109.954 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.579 ' H ' ' HA2' ' A' ' 47' ' ' GLY . 52.3 t -54.84 116.24 2.62 Favored 'General case' 0 C--O 1.241 0.629 0 O-C-N 124.416 1.072 . . . . 60.509999999999998 110.045 176.045 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -65.77 -3.54 5.1 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 125.443 1.497 . . . . 74.120000000000005 112.58 -172.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.4 mt -113.29 -32.37 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.225 0 C-N-CA 124.114 0.966 . . . . 73.530000000000001 110.499 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.813 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 73.8 m -86.15 -23.47 26.55 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 112.925 0.713 . . . . 63.32 112.925 -173.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.5 t30 76.31 -24.24 0.22 Allowed 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 125.007 1.323 . . . . 72.450000000000003 112.761 -178.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -100.9 -44.78 5.65 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.568 0.747 . . . . 74.439999999999998 110.745 -174.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.579 ' HA2' ' H ' ' A' ' 41' ' ' CYS . . . 95.21 -86.07 0.98 Allowed Glycine 0 C--N 1.345 1.065 0 N-CA-C 110.552 -1.019 . . . . 51.329999999999998 110.552 -175.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.1 t70 57.54 -81.96 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 124.707 1.203 . . . . 60.32 113.891 169.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.412 ' O ' ' HB2' ' A' ' 53' ' ' MET . 52.1 t -57.74 94.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.212 0 C-N-CA 124.867 1.267 . . . . 73.099999999999994 110.385 -175.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -80.77 -33.05 35.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.263 1.025 . . . . 62.439999999999998 111.268 -171.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -72.99 -24.36 60.75 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.282 0.845 . . . . 74.349999999999994 113.282 -177.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.1 m -109.04 9.13 26.4 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 118.145 0.429 . . . . 42.109999999999999 110.179 175.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 53.6 ttm -78.08 102.05 7.28 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 123.502 0.721 . . . . 75.400000000000006 109.271 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.7 mt -85.16 137.75 32.82 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.154 0.982 . . . . 64.420000000000002 108.974 176.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -118.14 112.82 20.68 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 106.756 -1.572 . . . . 62.020000000000003 106.756 173.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.513 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 49.5 t -60.37 113.29 2.32 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 123.949 0.781 . . . . 71.319999999999993 109.959 174.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -80.82 -6.21 58.26 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 121.297 0.57 . . . . 75.129999999999995 110.595 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.463 ' O ' ' SG ' ' A' ' 59' ' ' CYS . . . -113.69 30.53 7.14 Favored Glycine 0 C--N 1.346 1.133 0 CA-C-N 115.652 -0.704 . . . . 63.439999999999998 113.815 175.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 85.1 m -165.98 -34.14 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.642 0.777 . . . . 75.439999999999998 110.565 176.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 63.09 70.68 0.54 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.823 1.249 . . . . 63.340000000000003 109.888 -167.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -144.99 139.98 27.86 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 107.547 -1.279 . . . . 43.439999999999998 107.547 172.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.8 p -104.74 124.97 50.33 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.86 0.864 . . . . 71.340000000000003 110.924 -173.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -129.25 -178.43 4.65 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.534 1.134 . . . . 73.099999999999994 109.189 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.691 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 34.5 m170 -115.66 161.28 18.9 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.61 -0.723 . . . . 70.400000000000006 109.842 165.309 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.64 HG21 HG12 ' A' ' 75' ' ' ILE . 19.4 p -63.26 -46.91 84.69 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.734 1.271 . . . . 64.0 110.859 172.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.448 ' HA ' ' HB3' ' A' ' 71' ' ' PRO . 46.3 p90 -79.29 -17.21 55.09 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.985 0.914 . . . . 73.109999999999999 112.99 -175.272 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.813 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 95.6 m -71.17 -38.47 72.16 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.955 0.502 . . . . 52.130000000000003 111.051 176.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.9 mt -72.18 146.2 47.54 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 124.077 0.86 . . . . 61.329999999999998 110.18 173.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 pp -128.03 129.11 23.72 Favored Pre-proline 0 N--CA 1.481 1.079 0 CA-C-O 119.412 -0.327 . . . . 70.030000000000001 110.573 175.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -70.73 137.29 45.3 Favored 'Cis proline' 0 C--N 1.382 2.317 0 CA-C-N 119.94 1.014 . . . . 64.230000000000004 112.141 -1.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.448 ' HB3' ' HA ' ' A' ' 66' ' ' PHE . 38.2 Cg_endo -63.77 146.62 92.17 Favored 'Trans proline' 0 C--N 1.376 1.982 0 C-N-CA 123.184 2.589 . . . . 72.019999999999996 113.53 -169.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.1 mt -81.59 89.23 6.2 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.19 0.596 . . . . 61.5 109.522 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.0 p -65.88 -20.98 66.42 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.25 0.62 . . . . 74.450000000000003 111.588 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.2 m -95.67 112.85 24.48 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 107.728 -1.212 . . . . 71.340000000000003 107.728 165.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.64 HG12 HG21 ' A' ' 65' ' ' THR . 35.7 mt -86.88 112.39 46.95 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 123.751 0.82 . . . . 75.129999999999995 109.743 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -57.31 138.69 87.4 Favored 'Trans proline' 0 C--N 1.383 2.357 0 C-N-CA 122.663 2.242 . . . . 51.509999999999998 111.761 172.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -77.12 86.89 3.59 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 122.895 0.478 . . . . 74.349999999999994 109.74 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.36 -75.68 0.81 Allowed Glycine 0 C--N 1.346 1.108 0 CA-C-N 115.28 -0.873 . . . . 32.340000000000003 113.28 177.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -63.02 88.33 0.03 OUTLIER 'General case' 0 C--N 1.351 0.636 0 C-N-CA 124.594 1.157 . . . . 75.219999999999999 109.874 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.418 ' O ' ' HA ' ' A' ' 56' ' ' CYS . 37.1 t90 -106.61 150.8 25.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.966 -1.016 . . . . 73.209999999999994 109.126 174.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.1 mt -113.86 125.71 54.36 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 108.35 -0.981 . . . . 74.299999999999997 108.35 171.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 26.3 p -67.06 164.02 39.55 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 124.054 0.942 . . . . 35.240000000000002 111.547 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -52.36 -26.44 27.68 Favored 'Trans proline' 0 C--N 1.382 2.318 0 C-N-CA 122.642 2.228 . . . . 74.030000000000001 112.503 167.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.584 ' HB2' ' SG ' ' A' ' 82' ' ' CYS . 82.4 mtt-85 -76.43 -19.36 58.16 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.335 1.054 . . . . 74.329999999999998 112.26 177.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.581 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 80.0 m -85.0 -39.77 17.66 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.058 0.543 . . . . 62.530000000000001 110.952 171.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.62 -43.21 83.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 CA-C-N 115.241 -0.89 . . . . 75.329999999999998 111.458 -177.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.486 1.35 0 C-N-CA 123.94 0.896 . . . . 73.409999999999997 110.663 -176.635 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt . . . . . 0 N--CA 1.469 0.479 0 N-CA-C 106.765 -1.568 . . . . 64.329999999999998 106.765 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -140.35 -64.47 0.47 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 113.426 -1.715 . . . . 74.340000000000003 108.202 163.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.3 mt 67.2 115.38 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 125.369 1.468 . . . . 74.340000000000003 110.888 -173.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.588 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 30.9 t -79.83 105.95 11.49 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 108.324 -0.991 . . . . 64.200000000000003 108.324 178.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -50.83 -47.51 60.12 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 124.931 1.395 . . . . 75.420000000000002 113.888 -166.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.457 HG13 ' HE1' ' A' ' 63' ' ' TYR . 60.5 mt -60.44 -45.25 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 112.57 0.582 . . . . 53.439999999999998 112.57 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.731 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 30.3 p -101.8 -12.43 18.32 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 112.442 0.534 . . . . 74.420000000000002 112.442 -167.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.5 t30 69.67 -3.97 1.53 Allowed 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.778 1.231 . . . . 61.109999999999999 112.271 -175.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.527 ' HB2' ' HE1' ' A' ' 64' ' ' HIS . 24.1 mmt-85 -76.52 122.09 24.08 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 121.374 -0.829 . . . . 72.109999999999999 109.824 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -118.89 9.08 12.53 Favored Glycine 0 N--CA 1.481 1.678 0 CA-C-O 119.908 -0.384 . . . . 71.329999999999998 113.883 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -93.37 -47.44 6.88 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.313 0.645 . . . . 72.340000000000003 110.898 -175.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 78.7 t -74.81 85.6 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.489 0.661 . . . . 73.439999999999998 110.174 -177.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -77.09 -22.96 51.97 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.824 -0.625 . . . . 64.219999999999999 111.049 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -61.55 -37.1 82.58 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.097 0.959 . . . . 63.310000000000002 113.398 -177.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.5 p -103.8 7.29 37.06 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-N 118.267 0.485 . . . . 74.109999999999999 111.161 176.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 53.4 ttm -85.91 106.65 17.26 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 123.573 0.749 . . . . 75.420000000000002 110.276 -174.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.3 mt -86.32 156.72 20.11 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.785 1.234 . . . . 74.420000000000002 110.061 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.17 138.5 53.57 Favored 'General case' 0 C--O 1.244 0.773 0 N-CA-C 107.036 -1.468 . . . . 43.130000000000003 107.036 175.533 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.729 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 52.9 t -71.1 126.48 29.71 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 110.253 -0.277 . . . . 74.019999999999996 110.253 177.111 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.49 ' HB2' ' HB3' ' A' ' 79' ' ' GLU . 12.5 t70 -60.93 -42.72 98.71 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.188 0.995 . . . . 75.510000000000005 110.987 177.223 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -97.32 22.97 37.92 Favored Glycine 0 C--N 1.35 1.331 0 CA-C-N 115.348 -0.842 . . . . 62.100000000000001 114.3 -173.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.729 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 11.4 p -176.83 -159.7 0.06 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.991 0.916 . . . . 62.539999999999999 109.862 175.107 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -129.46 103.74 7.07 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 123.8 0.84 . . . . 54.509999999999998 108.895 177.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -167.37 153.82 8.1 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 123.36 0.664 . . . . 64.519999999999996 109.222 169.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.0 p -111.52 126.88 55.44 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.762 0.825 . . . . 63.539999999999999 110.994 -178.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.457 ' HE1' HG13 ' A' ' 43' ' ' ILE . 96.9 m-85 -136.99 138.65 40.76 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.464 1.106 . . . . 73.329999999999998 109.093 176.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.74 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 39.6 m80 -84.84 168.25 15.28 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 110.195 -0.298 . . . . 63.009999999999998 110.195 176.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.3 p -60.36 -52.26 66.01 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.206 1.002 . . . . 72.409999999999997 111.326 173.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -72.38 -23.83 61.17 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.047 0.939 . . . . 70.439999999999998 113.14 -176.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.74 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 60.0 m -70.32 -17.92 63.08 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.182 0.593 . . . . 61.350000000000001 112.182 177.306 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.5 mt -107.01 161.44 14.73 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.939 0.896 . . . . 71.25 109.674 177.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.516 HD23 ' H ' ' A' ' 69' ' ' LEU . 1.9 pt? -123.45 125.73 26.01 Favored Pre-proline 0 CA--C 1.552 1.043 0 N-CA-C 108.978 -0.749 . . . . 72.430000000000007 108.978 173.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -77.24 138.54 53.97 Favored 'Cis proline' 0 C--N 1.378 2.124 0 C-N-CA 124.356 -1.101 . . . . 75.519999999999996 112.548 5.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -55.41 101.29 0.08 OUTLIER 'Trans proline' 0 C--N 1.383 2.354 0 C-N-CA 123.006 2.471 . . . . 63.020000000000003 110.881 176.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.6 mt -57.35 114.23 2.1 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.621 1.168 . . . . 61.299999999999997 110.703 -169.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 m -64.05 -19.32 65.13 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.205 1.002 . . . . 73.129999999999995 111.666 -175.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.8 m -149.73 173.72 13.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.715 1.206 . . . . 71.340000000000003 109.377 176.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.4 mm -63.7 126.47 89.82 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 123.582 0.753 . . . . 75.439999999999998 109.965 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -70.43 83.27 0.83 Allowed 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 122.84 2.36 . . . . 73.219999999999999 111.454 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.4 tttt 68.53 -70.57 0.13 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.732 1.613 . . . . 73.219999999999999 111.026 -177.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -164.99 -74.76 0.03 OUTLIER Glycine 0 C--N 1.343 0.939 0 N-CA-C 110.223 -1.151 . . . . 73.319999999999993 110.223 173.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.49 ' HB3' ' HB2' ' A' ' 57' ' ' ASP . 6.9 mp0 -84.34 130.17 34.82 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.696 0.798 . . . . 72.140000000000001 109.024 175.283 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.47 ' O ' ' HA ' ' A' ' 56' ' ' CYS . 65.2 t90 -103.53 139.59 38.66 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.664 0.786 . . . . 72.319999999999993 109.871 -179.021 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.436 HD23 ' HB3' ' A' ' 57' ' ' ASP . 95.3 mt -94.79 128.61 41.64 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.883 0.873 . . . . 70.310000000000002 109.719 175.165 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.688 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 31.4 p -67.51 158.17 83.36 Favored Pre-proline 0 N--CA 1.476 0.867 0 CA-C-O 119.166 -0.445 . . . . 73.030000000000001 110.395 174.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -50.68 -31.92 34.13 Favored 'Trans proline' 0 C--N 1.383 2.364 0 C-N-CA 122.961 2.44 . . . . 72.200000000000003 114.16 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.509 ' NH2' ' HB ' ' A' ' 87' ' ' VAL . 6.2 tpm_? -74.78 -30.27 61.39 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.416 0.686 . . . . 63.130000000000003 111.071 177.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.688 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 89.9 m -74.61 -33.51 62.62 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.419 0.688 . . . . 74.409999999999997 111.395 175.113 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.4 t -50.13 -55.85 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.677 0.791 . . . . 62.32 110.592 173.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.509 ' HB ' ' NH2' ' A' ' 84' ' ' ARG . 22.0 t . . . . . 0 C--O 1.244 0.766 0 N-CA-C 108.212 -1.033 . . . . 75.540000000000006 108.212 169.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 109.594 -0.521 . . . . 73.549999999999997 109.594 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 55.76 71.32 0.56 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.414 1.086 . . . . 75.430000000000007 111.117 178.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.5 mt -117.24 149.31 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.541 1.137 . . . . 51.420000000000002 109.85 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 53.5 t -62.17 115.68 4.34 Favored 'General case' 0 C--N 1.359 1.022 0 C-N-CA 123.803 0.841 . . . . 60.43 109.508 178.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -65.51 -19.69 66.03 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 124.61 1.194 . . . . 52.43 111.375 -175.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.2 mt -84.45 -38.91 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 C-N-CA 123.868 0.867 . . . . 74.409999999999997 109.927 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.795 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 53.8 m -88.1 -31.42 19.23 Favored 'General case' 0 C--O 1.252 1.212 0 N-CA-C 113.14 0.793 . . . . 52.439999999999998 113.14 -170.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 76.87 -43.72 0.45 Allowed 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 125.762 1.625 . . . . 75.239999999999995 111.266 -174.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -87.14 140.65 29.34 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.938 0.495 . . . . 73.540000000000006 109.8 170.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -124.45 45.9 1.14 Allowed Glycine 0 N--CA 1.472 1.052 0 CA-C-N 116.354 -0.385 . . . . 70.329999999999998 113.17 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.78 -54.1 40.5 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.355 0.662 . . . . 75.340000000000003 110.513 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.4 t -79.3 77.6 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-O 121.916 0.865 . . . . 75.310000000000002 109.2 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -75.99 -18.16 59.41 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 114.771 -1.104 . . . . 74.120000000000005 110.804 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -58.69 -35.06 72.02 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.106 0.562 . . . . 72.349999999999994 112.329 175.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 m -100.04 15.2 28.07 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.28 0.632 . . . . 72.129999999999995 111.582 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 41.9 tpp -81.72 111.72 18.23 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 109.266 -0.642 . . . . 75.409999999999997 109.266 -177.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 73.6 mt -93.97 130.3 40.13 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.847 -0.798 . . . . 71.349999999999994 108.847 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -100.04 119.06 37.7 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.56 -1.274 . . . . 53.509999999999998 107.56 177.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 43.7 t -70.16 106.56 3.33 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 108.966 -0.753 . . . . 64.409999999999997 108.966 174.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -58.43 -31.59 67.89 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.842 1.257 . . . . 74.230000000000004 111.086 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.45 32.47 6.21 Favored Glycine 0 C--N 1.347 1.153 0 CA-C-N 115.4 -0.818 . . . . 73.310000000000002 113.191 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.692 ' HG ' ' HG ' ' A' ' 56' ' ' CYS . 72.8 m -152.22 -91.67 0.05 Allowed 'General case' 0 CA--C 1.562 1.417 0 C-N-CA 123.933 0.893 . . . . 74.209999999999994 110.876 174.315 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.0 t70 143.27 -26.99 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 126.55 1.94 . . . . 75.219999999999999 108.585 -157.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.86 158.8 33.83 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.667 0.787 . . . . 71.25 110.663 -178.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.2 m -130.33 142.18 50.55 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.748 0.819 . . . . 71.030000000000001 110.379 -177.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -144.11 139.15 28.7 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.769 1.228 . . . . 74.530000000000001 108.788 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.637 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 45.2 m170 -72.55 146.65 46.59 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 118.261 0.482 . . . . 71.400000000000006 110.102 172.449 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 17.9 p -50.52 -55.64 15.17 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 124.339 1.024 . . . . 73.329999999999998 111.225 172.274 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -78.24 -12.9 60.03 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.586 -1.188 . . . . 62.149999999999999 113.767 -171.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.795 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 65.9 m -90.32 -21.77 21.87 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.096 0.558 . . . . 73.239999999999995 111.624 -177.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.7 mt -73.92 161.85 29.69 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.514 0.726 . . . . 74.129999999999995 110.076 174.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.1 mt -121.83 123.44 27.41 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 108.923 -0.769 . . . . 64.0 108.923 173.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -73.89 138.97 58.87 Favored 'Cis proline' 0 C--N 1.389 2.669 0 CA-C-N 119.882 0.994 . . . . 71.120000000000005 111.767 -5.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.96 134.84 64.95 Favored 'Trans proline' 0 C--N 1.38 2.187 0 C-N-CA 122.943 2.429 . . . . 73.450000000000003 112.315 -178.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.4 ' O ' ' HB ' ' A' ' 65' ' ' THR . 53.5 mt -86.58 117.63 25.47 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 107.828 -1.175 . . . . 50.039999999999999 107.828 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 m -72.33 -16.64 61.88 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 123.286 0.635 . . . . 70.010000000000005 111.542 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 56.4 p -138.26 148.08 44.33 Favored 'General case' 0 C--O 1.244 0.79 0 C-N-CA 124.16 0.984 . . . . 54.43 110.171 -173.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.625 HG22 ' H ' ' A' ' 77' ' ' LYS . 70.6 mt -91.58 129.36 43.02 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 124.587 1.155 . . . . 73.409999999999997 109.079 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.46 -5.91 16.3 Favored 'Trans proline' 0 C--N 1.384 2.436 0 C-N-CA 123.085 2.523 . . . . 63.329999999999998 113.956 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.625 ' H ' HG22 ' A' ' 75' ' ' ILE . 97.1 mttt 53.9 13.66 0.57 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 125.916 1.686 . . . . 65.519999999999996 115.123 178.05 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.34 -125.76 0.8 Allowed Glycine 0 C--N 1.342 0.907 0 CA-C-O 119.187 -0.785 . . . . 73.340000000000003 111.24 -178.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -63.79 101.52 0.37 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.663 0.785 . . . . 64.450000000000003 111.319 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -112.32 143.03 44.1 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 107.834 -1.173 . . . . 75.120000000000005 107.834 169.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.9 mt -118.34 134.56 54.94 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.813 -0.81 . . . . 64.030000000000001 108.813 177.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.686 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 28.1 p -67.23 157.07 86.51 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 123.51 0.724 . . . . 63.210000000000001 110.64 175.11 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.42 ' O ' HG23 ' A' ' 87' ' ' VAL . 81.8 Cg_exo -50.21 -32.7 33.41 Favored 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 122.649 2.233 . . . . 72.140000000000001 113.171 172.377 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.433 ' HB3' ' SG ' ' A' ' 82' ' ' CYS . 57.2 ttm-85 -62.21 -37.49 85.52 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.996 0.918 . . . . 74.019999999999996 111.521 177.317 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 78.5 m -64.53 -32.21 73.76 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 120.99 0.424 . . . . 73.430000000000007 111.686 177.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.6 t -76.66 -37.03 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 CA-C-N 115.341 -0.845 . . . . 74.319999999999993 110.613 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 83' ' ' PRO . 86.9 t . . . . . 0 N--CA 1.487 1.378 0 C-N-CA 123.454 0.701 . . . . 64.310000000000002 111.118 177.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp . . . . . 0 N--CA 1.474 0.735 0 N-CA-C 108.264 -1.013 . . . . 65.420000000000002 108.264 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -57.88 99.89 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 114.196 -1.365 . . . . 74.540000000000006 112.818 -164.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.7 mt -73.11 131.69 34.51 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 CA-C-N 114.677 -1.147 . . . . 55.409999999999997 109.227 177.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.461 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 48.1 t -71.72 131.25 42.86 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 108.909 -0.774 . . . . 72.329999999999998 108.909 175.196 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -75.83 -9.21 58.41 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 122.676 0.39 . . . . 55.439999999999998 111.472 -175.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.8 mt -113.6 -44.59 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 123.668 0.787 . . . . 60.299999999999997 110.143 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.766 ' HG ' ' HG ' ' A' ' 67' ' ' CYS . 34.0 m -96.37 -27.43 14.94 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.431 0.692 . . . . 60.130000000000003 112.493 -171.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 75.55 -54.67 0.63 Allowed 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 125.547 1.539 . . . . 72.120000000000005 111.648 -169.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -90.84 116.9 29.03 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.149 0.58 . . . . 72.239999999999995 109.974 -172.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.81 72.7 1.41 Allowed Glycine 0 C--N 1.34 0.754 0 CA-C-N 116.032 -0.531 . . . . 72.129999999999995 112.315 177.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.89 -59.43 4.19 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.513 0.725 . . . . 73.140000000000001 109.319 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.4 t -88.02 84.1 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 115.021 -0.991 . . . . 73.010000000000005 108.563 172.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.29 -18.22 63.11 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 115.608 -0.723 . . . . 74.510000000000005 110.235 176.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -61.84 -36.39 81.03 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.093 0.957 . . . . 75.420000000000002 110.97 178.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.0 m -96.39 1.39 51.7 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.277 0.631 . . . . 73.109999999999999 110.888 -177.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 47.0 ttm -79.63 106.58 11.76 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 121.008 0.433 . . . . 70.109999999999999 110.008 -177.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.577 ' HB3' ' HB3' ' A' ' 80' ' ' TRP . 23.3 mt -86.22 135.77 33.44 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 125.226 1.41 . . . . 71.409999999999997 109.439 175.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -102.58 123.69 46.77 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.309 0.644 . . . . 74.549999999999997 110.393 -177.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.533 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 42.2 t -76.64 107.08 8.68 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 123.743 0.652 . . . . 73.120000000000005 109.74 175.421 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -54.61 -44.8 73.42 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.232 1.013 . . . . 74.519999999999996 111.118 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.22 42.91 1.82 Allowed Glycine 0 C--N 1.342 0.907 0 CA-C-N 115.577 -0.738 . . . . 64.230000000000004 113.455 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.559 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 87.4 m -157.18 -169.87 3.08 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.68 1.192 . . . . 63.109999999999999 108.628 169.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -108.67 4.41 23.83 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.396 1.078 . . . . 74.409999999999997 109.363 174.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.41 150.35 21.12 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 124.262 1.025 . . . . 75.409999999999997 111.246 -163.12 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.0 m -128.05 133.6 49.1 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.139 0.975 . . . . 74.329999999999998 108.718 173.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.428 ' HB2' ' HZ3' ' A' ' 80' ' ' TRP . 44.1 m-85 -127.26 151.71 48.37 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 107.847 -1.168 . . . . 73.450000000000003 107.847 178.158 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.506 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 43.1 m80 -89.69 161.93 15.84 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 107.879 -1.156 . . . . 72.150000000000006 107.879 170.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.603 HG21 HG12 ' A' ' 75' ' ' ILE . 42.2 p -59.56 -34.53 72.79 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 121.456 0.646 . . . . 63.420000000000002 110.066 175.232 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -105.24 30.82 5.32 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.02 0.928 . . . . 75.230000000000004 111.782 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.766 ' HG ' ' HG ' ' A' ' 44' ' ' CYS . 49.1 m -96.0 -4.86 42.41 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.257 0.623 . . . . 73.040000000000006 110.816 170.524 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.8 mt -111.13 162.24 15.12 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.211 0.604 . . . . 72.519999999999996 110.808 -170.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.8 mt -130.1 111.25 16.94 Favored Pre-proline 0 CA--C 1.558 1.278 0 C-N-CA 124.094 0.958 . . . . 72.319999999999993 109.468 176.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.61 147.19 88.76 Favored 'Cis proline' 0 C--N 1.375 1.946 0 CA-C-N 120.068 1.06 . . . . 51.210000000000001 111.701 -5.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.31 152.83 61.52 Favored 'Trans proline' 0 C--N 1.369 1.638 0 C-N-CA 122.969 2.446 . . . . 61.520000000000003 112.79 -173.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.439 ' O ' ' HB ' ' A' ' 65' ' ' THR . 51.2 mt -73.81 87.12 1.73 Allowed 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 108.612 -0.884 . . . . 71.25 108.612 172.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.4 p -65.76 -23.98 66.85 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.914 0.886 . . . . 72.150000000000006 110.98 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.2 m -104.79 132.48 50.98 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 124.009 0.924 . . . . 72.219999999999999 108.671 167.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.603 HG12 HG21 ' A' ' 65' ' ' THR . 55.9 mt -72.56 127.18 90.31 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 123.296 0.638 . . . . 74.340000000000003 109.376 174.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -66.4 -166.13 0.1 Allowed 'Trans proline' 0 C--N 1.374 1.9 0 C-N-CA 123.13 2.553 . . . . 71.409999999999997 113.753 177.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -82.16 79.74 8.57 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.58 0.752 . . . . 71.340000000000003 110.825 -171.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.36 -108.16 2.32 Favored Glycine 0 C--N 1.35 1.311 0 N-CA-C 111.871 -0.492 . . . . 51.130000000000003 111.871 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -76.71 156.68 32.32 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.296 0.638 . . . . 73.239999999999995 109.311 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.577 ' HB3' ' HB3' ' A' ' 54' ' ' LEU . 43.8 t90 -149.23 131.61 15.63 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.362 0.665 . . . . 73.310000000000002 110.02 -170.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.9 mt -76.19 133.51 40.15 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.322 0.649 . . . . 55.43 110.097 176.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 26.8 p -55.71 151.04 23.89 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 123.745 0.818 . . . . 72.329999999999998 110.611 174.415 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.471 ' O ' HG23 ' A' ' 87' ' ' VAL . 31.2 Cg_exo -58.75 -27.29 83.14 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.761 2.308 . . . . 73.109999999999999 112.213 -176.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -62.99 -38.34 90.78 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.978 1.311 . . . . 75.450000000000003 111.257 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 78.0 m -68.14 -35.05 77.46 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 123.257 0.623 . . . . 70.530000000000001 110.902 174.362 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.4 t -74.94 -34.65 33.32 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 C-N-CA 123.414 0.685 . . . . 75.540000000000006 111.047 -175.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 83' ' ' PRO . 99.1 t . . . . . 0 N--CA 1.489 1.5 0 C-N-CA 123.625 0.77 . . . . 62.219999999999999 110.145 175.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.4 tttm . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 109.61 -0.515 . . . . 73.219999999999999 109.61 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -58.82 104.83 0.26 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.805 0.842 . . . . 62.399999999999999 113.042 -167.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.9 mm -93.15 148.43 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.672 1.189 . . . . 74.310000000000002 109.693 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 23.1 t -73.65 109.22 6.99 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 107.854 -1.165 . . . . 73.230000000000004 107.854 169.093 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -54.26 -49.31 69.84 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 124.528 1.142 . . . . 63.420000000000002 111.369 -170.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 62.0 mt -58.27 -34.54 50.29 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.426 0 C-N-CA 124.479 1.112 . . . . 74.099999999999994 112.563 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 94.8 m -85.42 -33.21 21.98 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-O 119.115 -0.469 . . . . 65.120000000000005 111.783 -177.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.5 t30 65.32 14.51 9.47 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 124.784 1.302 . . . . 61.020000000000003 110.456 -166.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -130.11 146.64 51.78 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 125.272 1.429 . . . . 71.409999999999997 109.806 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -118.39 30.33 6.04 Favored Glycine 0 N--CA 1.467 0.75 0 CA-C-N 115.755 -0.657 . . . . 63.229999999999997 111.494 171.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.2 -55.14 20.24 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.069 0.948 . . . . 73.329999999999998 110.3 -174.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.6 t -97.34 65.55 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 CA-C-O 121.836 0.827 . . . . 71.129999999999995 108.896 176.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 53' ' ' MET . 8.8 pt-20 -71.07 -19.36 62.49 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 115.478 -0.783 . . . . 51.219999999999999 112.11 -177.123 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.88 -28.9 70.35 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 120.992 0.425 . . . . 74.319999999999993 111.09 175.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.3 t -105.02 17.24 24.47 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.524 -0.762 . . . . 71.329999999999998 111.837 -174.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.594 ' HA ' ' HA ' ' A' ' 64' ' ' HIS . 16.5 ptp -98.2 133.14 43.04 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 121.129 0.49 . . . . 61.409999999999997 109.714 170.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.5 mp -105.68 139.0 40.93 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 107.296 -1.372 . . . . 52.130000000000003 107.296 172.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 45.6 tp -101.18 121.15 41.33 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 108.345 -0.983 . . . . 71.409999999999997 108.345 -178.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.724 ' HG ' ' HG ' ' A' ' 59' ' ' CYS . 43.4 t -63.05 115.76 4.72 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 123.618 0.767 . . . . 63.310000000000002 111.083 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.94 -27.42 65.72 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.517 0.727 . . . . 64.200000000000003 110.374 175.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.11 2.0 77.72 Favored Glycine 0 CA--C 1.54 1.594 0 N-CA-C 114.962 0.745 . . . . 41.530000000000001 114.962 178.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.724 ' HG ' ' HG ' ' A' ' 56' ' ' CYS . 27.6 p -160.04 -155.31 0.43 Allowed 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.976 0.91 . . . . 63.450000000000003 109.732 176.035 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -108.04 -14.37 14.75 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.65 0.78 . . . . 71.450000000000003 111.516 -177.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -87.88 145.56 26.0 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 112.687 0.625 . . . . 71.140000000000001 112.687 -163.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.8 t -102.12 132.63 47.89 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.422 1.089 . . . . 72.409999999999997 109.963 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -132.42 132.44 42.79 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.803 0.841 . . . . 74.140000000000001 109.368 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.781 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 30.9 m170 -67.71 161.35 26.14 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 117.922 0.328 . . . . 73.239999999999995 110.597 170.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.6 p -52.5 -56.77 12.85 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 124.558 1.161 . . . . 64.540000000000006 110.799 169.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.539 ' HA ' ' HB3' ' A' ' 71' ' ' PRO . 32.0 p90 -77.2 -10.66 59.55 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 114.228 -1.351 . . . . 72.239999999999995 113.485 -172.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 92.4 m -78.67 -16.4 57.34 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.235 0.614 . . . . 72.430000000000007 112.514 178.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 70.3 mt -104.77 159.17 16.0 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.443 0.697 . . . . 71.299999999999997 111.103 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mp -113.75 114.82 46.76 Favored Pre-proline 0 CA--C 1.548 0.898 0 N-CA-C 107.915 -1.143 . . . . 73.519999999999996 107.915 172.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -80.0 147.94 77.83 Favored 'Cis proline' 0 C--N 1.378 2.103 0 CA-C-N 120.213 1.112 . . . . 64.109999999999999 112.845 0.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.539 ' HB3' ' HA ' ' A' ' 66' ' ' PHE . 54.2 Cg_exo -56.49 122.4 11.73 Favored 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 122.471 2.114 . . . . 63.229999999999997 111.446 174.105 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.1 mt -75.43 81.6 2.49 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.265 0.626 . . . . 54.020000000000003 109.934 -172.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.3 m -64.32 -28.84 69.99 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-O 121.704 0.764 . . . . 64.310000000000002 110.458 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.7 p -115.16 141.25 48.27 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 124.573 1.149 . . . . 73.099999999999994 108.727 169.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.2 mt -73.52 114.77 34.99 Favored Pre-proline 0 CA--C 1.55 0.95 0 N-CA-C 108.17 -1.048 . . . . 73.310000000000002 108.17 171.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.04 101.01 0.32 Allowed 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.424 2.083 . . . . 72.430000000000007 111.996 -177.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.4 tptt 69.48 -73.7 0.09 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.824 1.65 . . . . 74.319999999999993 110.625 177.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -170.37 -77.93 0.04 OUTLIER Glycine 0 C--O 1.242 0.644 0 N-CA-C 109.771 -1.332 . . . . 53.409999999999997 109.771 173.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -64.12 144.47 57.09 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.945 0.898 . . . . 72.109999999999999 109.506 170.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -138.74 143.75 39.17 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.591 0.71 . . . . 63.32 111.478 -171.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.4 mt -114.87 132.39 56.53 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 125.227 1.411 . . . . 75.120000000000005 108.09 173.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 31.6 p -68.35 139.76 92.32 Favored Pre-proline 0 N--CA 1.471 0.623 0 CA-C-O 118.628 -0.701 . . . . 62.140000000000001 109.819 176.566 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.411 ' O ' HG23 ' A' ' 87' ' ' VAL . 70.3 Cg_exo -45.06 -31.09 5.3 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 124.081 3.187 . . . . 70.200000000000003 114.075 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -62.99 -48.49 78.61 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.266 1.027 . . . . 74.340000000000003 111.194 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 62.1 m -71.77 -27.32 62.88 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.696 0.798 . . . . 52.210000000000001 111.473 -178.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.4 t -70.05 -22.96 24.82 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 C-N-CA 123.847 0.859 . . . . 34.219999999999999 111.073 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 83' ' ' PRO . 93.4 t . . . . . 0 N--CA 1.487 1.407 0 C-N-CA 122.956 0.502 . . . . 33.509999999999998 111.956 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.545 0.771 0 N-CA-C 108.96 -0.756 . . . . 72.420000000000002 108.96 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -84.72 93.61 8.48 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.102 -1.073 . . . . 64.510000000000005 108.102 170.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 62' ' ' SER . 50.2 mm -108.73 143.94 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 124.825 1.25 . . . . 65.430000000000007 109.102 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.704 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 41.0 t -67.19 97.42 0.53 Allowed 'General case' 0 C--N 1.351 0.666 0 N-CA-C 107.586 -1.264 . . . . 73.450000000000003 107.586 171.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -51.39 -39.51 57.35 Favored 'General case' 0 C--O 1.248 1.002 0 C-N-CA 125.751 1.62 . . . . 65.409999999999997 112.883 -171.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.3 mt -60.98 -47.24 94.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.233 0.613 . . . . 75.120000000000005 111.357 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.589 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 62.6 m -89.2 -23.9 22.28 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 112.277 0.473 . . . . 61.210000000000001 112.277 -168.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 64.4 t30 57.96 33.98 23.79 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.307 1.043 . . . . 75.319999999999993 110.014 -167.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -126.41 132.98 51.39 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.918 0.887 . . . . 64.420000000000002 109.489 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -111.41 19.16 24.64 Favored Glycine 0 CA--C 1.526 0.77 0 O-C-N 123.941 0.775 . . . . 61.020000000000003 111.837 170.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.2 -69.53 0.35 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.616 1.166 . . . . 52.509999999999998 110.232 -174.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.9 t -83.38 87.71 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 108.449 -0.945 . . . . 64.430000000000007 108.449 175.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -78.57 -25.43 45.36 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 114.893 -1.049 . . . . 74.019999999999996 111.635 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -59.44 -35.64 74.42 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.219 1.008 . . . . 70.519999999999996 112.807 -173.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.469 ' HA ' HD11 ' A' ' 75' ' ' ILE . 19.7 m -102.48 3.86 38.05 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.183 0.593 . . . . 45.539999999999999 111.214 -176.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 45.0 ttm -80.28 121.59 25.84 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 109.104 -0.702 . . . . 74.219999999999999 109.104 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.479 HD21 HG23 ' A' ' 75' ' ' ILE . 87.6 mt -112.77 143.15 44.49 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 124.368 1.067 . . . . 71.340000000000003 109.537 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -100.5 127.86 46.73 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 105.804 -1.925 . . . . 71.230000000000004 105.804 174.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.749 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 50.2 t -68.43 108.91 3.44 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.385 -0.598 . . . . 63.32 109.385 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -61.16 -26.68 67.86 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.263 1.025 . . . . 71.340000000000003 112.382 -171.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -89.58 -16.95 56.04 Favored Glycine 0 C--N 1.346 1.111 0 N-CA-C 114.402 0.521 . . . . 64.010000000000005 114.402 -176.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.714 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 19.8 p -146.22 -159.67 1.05 Allowed 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 117.862 0.831 . . . . 74.200000000000003 111.079 -172.145 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -116.14 97.69 6.21 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 124.343 1.057 . . . . 75.239999999999995 108.838 175.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -173.61 160.29 3.75 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.97 0.908 . . . . 73.329999999999998 108.881 174.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 40' ' ' ILE . 69.6 m -138.73 130.72 28.07 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.269 0.628 . . . . 74.239999999999995 109.945 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -130.24 140.43 50.7 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.043 1.337 . . . . 63.350000000000001 108.39 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.675 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 33.4 m170 -72.04 156.5 39.15 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 108.778 -0.823 . . . . 72.409999999999997 108.778 164.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.485 ' HA ' HD12 ' A' ' 72' ' ' LEU . 48.2 p -59.53 -39.92 85.48 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 123.903 0.752 . . . . 62.130000000000003 110.623 171.039 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -91.74 9.96 30.36 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.94 -1.027 . . . . 63.049999999999997 113.094 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.704 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 67.4 m -78.43 -43.67 26.72 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.272 0.558 . . . . 63.200000000000003 110.077 168.349 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.8 mt -82.54 138.36 34.3 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.777 -1.101 . . . . 72.329999999999998 109.135 -178.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.33 129.45 25.33 Favored Pre-proline 0 N--CA 1.479 0.999 0 CA-C-O 118.961 -0.542 . . . . 64.519999999999996 110.056 173.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 49.1 Cg_endo -66.84 140.98 53.12 Favored 'Cis proline' 0 C--N 1.385 2.494 0 CA-C-N 119.935 1.013 . . . . 72.019999999999996 113.231 -1.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 70' ' ' PRO . 32.6 Cg_exo -59.71 148.77 86.52 Favored 'Trans proline' 0 C--N 1.381 2.271 0 C-N-CA 123.323 2.682 . . . . 62.149999999999999 113.768 -174.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 65' ' ' THR . 61.8 mt -68.7 119.47 13.15 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.852 0.861 . . . . 44.32 109.396 -178.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.8 m -64.65 -38.69 91.87 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 123.961 0.788 . . . . 74.239999999999995 111.925 -170.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.1 m -145.17 148.71 33.86 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.394 0.677 . . . . 72.019999999999996 110.623 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.479 HG23 HD21 ' A' ' 54' ' ' LEU . 57.6 mt -77.98 119.89 79.12 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 115.013 -0.994 . . . . 63.340000000000003 109.203 174.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 75' ' ' ILE . 2.9 Cg_endo -84.19 44.0 1.46 Allowed 'Trans proline' 0 C--N 1.372 1.766 0 C-N-CA 123.417 2.745 . . . . 72.430000000000007 111.639 177.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt 63.2 -80.8 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.104 1.362 . . . . 65.239999999999995 111.03 -174.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -154.79 6.02 0.29 Allowed Glycine 0 N--CA 1.468 0.805 0 N-CA-C 110.232 -1.147 . . . . 72.420000000000002 110.232 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -86.74 42.53 1.02 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.137 1.375 . . . . 63.409999999999997 109.871 -178.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 82.3 t90 -118.52 130.57 56.0 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 108.661 -0.866 . . . . 75.310000000000002 108.661 -170.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.5 mt -107.08 138.72 42.73 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 124.434 1.093 . . . . 74.430000000000007 109.337 173.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.717 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 29.0 p -71.84 153.3 93.13 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 109.162 -0.681 . . . . 74.420000000000002 109.162 171.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.591 ' HG2' HH11 ' A' ' 84' ' ' ARG . 37.8 Cg_endo -61.74 -18.54 61.07 Favored 'Trans proline' 0 C--N 1.371 1.733 0 C-N-CA 122.47 2.113 . . . . 71.329999999999998 112.504 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.591 HH11 ' HG2' ' A' ' 83' ' ' PRO . 6.8 mpt_? -63.63 -53.9 44.2 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.26 1.024 . . . . 74.439999999999998 109.426 174.322 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.749 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 97.4 m -56.29 -39.4 72.64 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 123.868 0.867 . . . . 61.32 112.049 -177.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 49.1 t -63.12 -43.64 99.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 114.823 -1.08 . . . . 75.109999999999999 110.724 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.6 m . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 113.185 0.809 . . . . 54.439999999999998 113.185 -172.313 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 108.801 -0.815 . . . . 54.130000000000003 108.801 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.437 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 73.2 m-85 -64.89 -60.15 3.39 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.003 0.521 . . . . 74.120000000000005 110.546 175.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.4 mt 62.68 109.85 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 125.563 1.545 . . . . 73.030000000000001 113.268 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 22.1 t -75.13 88.14 2.44 Favored 'General case' 0 C--N 1.346 0.448 0 N-CA-C 106.748 -1.575 . . . . 75.010000000000005 106.748 168.021 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -39.95 -42.57 1.38 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 125.125 1.515 . . . . 55.219999999999999 112.628 -171.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.6 mt -56.4 -52.19 55.25 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 C-N-CA 124.185 0.994 . . . . 75.439999999999998 112.404 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 21.2 p -100.18 -1.03 37.59 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 122.001 -0.437 . . . . 72.549999999999997 111.419 -174.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 63.61 10.67 5.15 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.132 1.373 . . . . 71.5 113.14 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -83.21 112.68 20.08 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.493 0.717 . . . . 71.140000000000001 110.729 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.51 73.33 0.23 Allowed Glycine 0 C--O 1.241 0.547 0 N-CA-C 107.679 -2.168 . . . . 64.340000000000003 107.679 169.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -170.52 -44.46 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 109.002 -0.74 . . . . 71.200000000000003 109.002 -159.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.8 t -97.5 78.68 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.204 0.601 . . . . 74.129999999999995 109.713 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.553 ' HA ' ' HB3' ' A' ' 53' ' ' MET . 2.8 mp0 -81.52 -18.94 43.31 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.136 0.574 . . . . 74.230000000000004 110.627 173.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -55.36 -36.81 66.73 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.652 1.181 . . . . 73.400000000000006 112.914 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.0 t -103.38 0.65 31.59 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.319 0.648 . . . . 52.5 111.48 177.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.553 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 40.9 ttm -100.25 131.65 46.07 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.985 0.514 . . . . 74.519999999999996 110.46 -171.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.508 HD11 HG23 ' A' ' 65' ' ' THR . 6.0 mp -103.71 152.82 21.37 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.057 1.343 . . . . 74.109999999999999 109.401 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -102.01 137.36 40.39 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.887 -0.597 . . . . 71.219999999999999 109.707 174.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.848 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 49.5 t -82.23 133.3 35.25 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.308 -0.86 . . . . 73.25 109.822 176.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -78.46 -50.94 10.76 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.627 0.371 . . . . 71.519999999999996 111.017 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.22 -17.24 69.95 Favored Glycine 0 C--N 1.349 1.258 0 CA-C-N 115.714 -0.676 . . . . 71.439999999999998 114.434 -170.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 6.3 p -165.59 177.84 7.09 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.314 1.046 . . . . 63.299999999999997 109.753 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -92.86 91.42 7.43 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.41 0.684 . . . . 43.100000000000001 109.253 -172.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -135.53 148.77 49.27 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 108.661 -0.866 . . . . 52.399999999999999 108.661 177.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.533 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 30.1 m -138.19 121.1 16.56 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 108.144 -1.058 . . . . 72.230000000000004 108.144 174.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -149.34 145.59 27.09 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.668 0.787 . . . . 70.239999999999995 110.575 -173.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.485 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 31.2 m170 -76.08 155.68 34.57 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.246 0.618 . . . . 61.420000000000002 110.384 174.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.672 HG21 HG12 ' A' ' 75' ' ' ILE . 7.9 p -59.06 -51.73 68.8 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.605 0.762 . . . . 51.43 111.219 172.207 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -74.48 -11.92 60.35 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 114.856 -1.065 . . . . 74.209999999999994 112.334 -173.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.485 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 84.0 m -90.77 -21.86 21.33 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-N 118.202 0.455 . . . . 70.129999999999995 112.089 -177.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.7 mt -83.28 42.78 0.84 Allowed 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 113.668 0.988 . . . . 73.420000000000002 113.668 -172.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mp -55.45 120.18 29.51 Favored Pre-proline 0 N--CA 1.5 2.072 0 C-N-CA 123.55 0.74 . . . . 73.430000000000007 112.157 -174.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -67.11 117.44 2.31 Favored 'Cis proline' 0 C--N 1.389 2.666 0 CA-C-N 120.392 1.176 . . . . 72.519999999999996 112.727 5.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -74.65 160.88 40.56 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.889 2.393 . . . . 74.230000000000004 114.112 -160.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.6 mt -77.42 82.74 3.86 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 108.436 -0.95 . . . . 73.129999999999995 108.436 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 t -61.86 -22.83 65.86 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.818 0.847 . . . . 73.310000000000002 112.001 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.5 t -125.75 136.55 53.29 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 107.24 -1.393 . . . . 64.230000000000004 107.24 165.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.672 HG12 HG21 ' A' ' 65' ' ' THR . 26.3 mt -73.21 123.36 89.44 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 123.682 0.793 . . . . 73.439999999999998 110.301 -178.286 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -48.42 127.86 16.6 Favored 'Trans proline' 0 C--N 1.384 2.428 0 C-N-CA 123.458 2.772 . . . . 74.219999999999999 111.766 169.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -47.59 81.4 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 125.681 1.593 . . . . 44.530000000000001 113.335 -177.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.03 -86.34 1.5 Allowed Glycine 0 C--N 1.348 1.207 0 CA-C-N 114.645 -1.161 . . . . 65.030000000000001 112.299 175.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -95.34 123.93 39.11 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.477 0.711 . . . . 73.200000000000003 110.468 -173.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 31.5 t90 -101.28 150.07 23.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.862 1.265 . . . . 71.319999999999993 111.022 -172.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.5 mt -115.56 127.93 55.6 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.55 -0.907 . . . . 71.219999999999999 108.55 172.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.716 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 26.4 p -77.4 161.5 72.28 Favored Pre-proline 0 CA--C 1.552 1.019 0 C-N-CA 123.084 0.554 . . . . 73.319999999999993 110.345 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -48.13 -33.89 22.38 Favored 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 123.042 2.495 . . . . 55.43 113.31 168.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.64 ' HB2' ' SG ' ' A' ' 82' ' ' CYS . 92.2 mtt180 -61.82 -40.73 96.29 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.879 0.872 . . . . 72.510000000000005 111.249 175.335 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.848 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 83.2 m -73.52 -28.38 61.87 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.446 0.698 . . . . 63.409999999999997 111.751 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.1 t -66.33 -41.54 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.229 0.611 . . . . 73.319999999999993 109.545 173.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 N--CA 1.487 1.377 0 C-N-CA 123.558 0.743 . . . . 73.120000000000005 110.652 173.586 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 108.98 -0.748 . . . . 70.530000000000001 108.98 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -70.41 -72.58 0.2 Allowed 'General case' 0 C--O 1.243 0.719 0 O-C-N 123.591 0.557 . . . . 74.019999999999996 109.547 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.0 mt 63.64 127.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 125.494 1.517 . . . . 74.239999999999995 112.021 175.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 53.0 t -61.49 105.91 0.58 Allowed 'General case' 0 C--N 1.35 0.608 0 N-CA-C 109.158 -0.682 . . . . 63.530000000000001 109.158 176.341 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -62.47 -14.68 43.91 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 125.465 1.506 . . . . 72.25 112.301 -173.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.3 mt -94.38 -34.59 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 C-N-CA 123.297 0.639 . . . . 73.120000000000005 110.211 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.75 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 84.0 m -80.74 -24.92 38.36 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 122.826 0.45 . . . . 70.040000000000006 111.698 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.8 t30 74.86 -24.7 0.21 Allowed 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 125.421 1.488 . . . . 72.120000000000005 111.877 -172.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -109.84 167.55 10.07 Favored 'General case' 0 C--O 1.244 0.801 0 C-N-CA 124.265 1.026 . . . . 73.140000000000001 110.83 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -99.7 39.96 2.59 Favored Glycine 0 C--N 1.345 1.064 0 CA-C-N 115.293 -0.867 . . . . 34.409999999999997 113.314 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -72.1 156.84 38.75 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.358 -0.608 . . . . 73.230000000000004 109.358 174.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.0 t 43.09 55.07 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 125.11 1.364 . . . . 75.219999999999999 111.167 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -65.44 -21.53 66.66 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 114.564 -1.198 . . . . 52.409999999999997 112.441 -172.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -64.47 -37.11 86.41 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.715 0.806 . . . . 73.109999999999999 110.692 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.3 m -97.02 13.28 29.56 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.282 0.633 . . . . 51.210000000000001 111.55 -175.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 46.1 ttm -84.32 102.51 12.76 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 108.656 -0.868 . . . . 70.030000000000001 108.656 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.2 mt -74.32 145.93 43.52 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.148 -0.933 . . . . 74.340000000000003 108.961 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.67 116.51 25.44 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.972 -1.121 . . . . 74.340000000000003 107.972 175.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.786 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 43.6 t -57.7 110.4 0.89 Allowed 'General case' 0 C--N 1.354 0.789 0 O-C-N 123.714 0.634 . . . . 62.130000000000003 109.741 173.077 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -58.38 -30.08 66.51 Favored 'General case' 0 CA--C 1.562 1.415 0 O-C-N 124.066 0.854 . . . . 60.450000000000003 111.764 -177.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.537 ' O ' ' SG ' ' A' ' 59' ' ' CYS . . . -118.22 59.26 0.5 Allowed Glycine 0 CA--C 1.544 1.872 0 CA-C-N 115.477 -0.783 . . . . 52.100000000000001 113.398 177.075 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.781 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 64.8 m -173.72 -34.86 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 126.274 1.83 . . . . 72.099999999999994 110.272 168.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.6 t70 61.14 56.57 2.71 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 122.944 1.354 . . . . 72.219999999999999 109.284 -168.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -125.7 134.37 51.83 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 107.356 -1.35 . . . . 70.040000000000006 107.356 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.5 m -102.16 122.2 43.7 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.729 0.812 . . . . 42.32 110.568 -169.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -136.0 138.24 42.05 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.296 1.038 . . . . 73.209999999999994 108.252 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.67 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 26.6 m170 -74.49 156.29 37.07 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 118.34 0.518 . . . . 73.400000000000006 109.969 170.057 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 36.8 p -53.59 -45.93 70.17 Favored 'General case' 0 CA--C 1.553 1.06 0 O-C-N 124.652 1.22 . . . . 75.019999999999996 111.357 170.224 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -85.74 -23.74 27.2 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 115.239 -0.891 . . . . 75.439999999999998 113.187 -175.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.75 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 86.9 m -69.06 -25.61 64.54 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 118.252 0.478 . . . . 72.129999999999995 112.041 -179.573 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.5 mt -80.63 155.44 26.85 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.557 -0.534 . . . . 73.340000000000003 109.557 172.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 pp -124.97 136.45 28.11 Favored Pre-proline 0 CA--C 1.549 0.917 0 N-CA-C 108.857 -0.794 . . . . 64.25 108.857 169.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -64.09 137.55 28.28 Favored 'Cis proline' 0 C--N 1.378 2.095 0 CA-C-N 120.018 1.042 . . . . 71.450000000000003 112.393 -7.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -68.42 124.85 12.1 Favored 'Trans proline' 0 C--N 1.371 1.733 0 C-N-CA 122.637 2.225 . . . . 43.119999999999997 112.803 -173.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.415 ' O ' ' HB ' ' A' ' 65' ' ' THR . 48.5 mt -65.87 113.54 4.44 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.548 -0.751 . . . . 74.239999999999995 109.322 172.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.1 p -80.42 -1.29 40.83 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.528 0.731 . . . . 63.299999999999997 111.901 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.3 t -155.34 176.83 12.06 Favored 'General case' 0 C--O 1.248 1.021 0 C-N-CA 124.335 1.054 . . . . 53.229999999999997 109.269 -177.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.0 mt -64.6 128.28 93.3 Favored Pre-proline 0 CA--C 1.559 1.3 0 N-CA-C 109.288 -0.634 . . . . 74.420000000000002 109.288 172.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -64.24 177.52 2.0 Allowed 'Trans proline' 0 C--N 1.375 1.947 0 C-N-CA 123.284 2.656 . . . . 74.340000000000003 113.881 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -64.55 97.42 0.21 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.165 0.986 . . . . 74.430000000000007 111.254 -176.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 63.46 -136.06 42.14 Favored Glycine 0 C--N 1.35 1.329 0 O-C-N 123.658 0.599 . . . . 44.439999999999998 111.782 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -69.78 150.52 46.8 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.346 -0.613 . . . . 61.340000000000003 109.346 173.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -111.76 131.84 55.05 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 121.194 0.521 . . . . 75.019999999999996 110.121 -173.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.439 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 82.0 mt -104.94 132.35 51.3 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.271 1.028 . . . . 62.219999999999999 109.162 173.243 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.786 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 19.2 p -66.58 159.69 72.2 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 123.339 0.656 . . . . 73.5 111.153 175.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.423 ' HB2' ' NH2' ' A' ' 84' ' ' ARG . 51.7 Cg_exo -56.84 -20.5 36.07 Favored 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 122.582 2.188 . . . . 53.310000000000002 112.88 171.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.703 ' HB2' ' SG ' ' A' ' 82' ' ' CYS . 0.0 OUTLIER -62.41 -47.03 85.91 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.796 0.839 . . . . 72.299999999999997 110.287 171.121 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.701 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 59.0 m -66.79 -39.48 87.79 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.62 0.768 . . . . 75.109999999999999 111.066 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.7 t -66.68 -43.14 90.37 Favored 'Isoleucine or valine' 0 C--O 1.247 0.947 0 CA-C-N 114.761 -1.108 . . . . 74.510000000000005 109.774 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.0 t . . . . . 0 N--CA 1.493 1.7 0 C-N-CA 126.088 1.755 . . . . 75.099999999999994 111.045 -176.946 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 109.718 -0.475 . . . . 65.019999999999996 109.718 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -112.54 73.58 0.82 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 108.737 -0.838 . . . . 72.329999999999998 108.737 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.73 27.79 8.54 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 115.322 -0.854 . . . . 71.040000000000006 110.652 -178.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 p -88.54 75.93 8.26 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 123.621 0.768 . . . . 70.530000000000001 109.977 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.25 -39.9 92.19 Favored Glycine 0 C--N 1.346 1.124 0 CA-C-N 115.747 -0.66 . . . . 74.099999999999994 112.336 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.34 81.81 0.6 Allowed Glycine 0 C--N 1.349 1.293 0 C-N-CA 122.931 0.301 . . . . 70.109999999999999 112.699 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.7 m -134.79 87.29 31.02 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 123.62 0.768 . . . . 73.230000000000004 109.701 177.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.38 145.99 49.4 Favored 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.183 1.922 . . . . 72.540000000000006 110.664 172.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.6 mt -100.7 54.49 0.87 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.531 0.732 . . . . 73.25 109.177 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.82 86.62 0.69 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.389 -0.823 . . . . 61.200000000000003 110.131 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.4 m -131.52 103.08 6.21 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 124.566 1.147 . . . . 63.299999999999997 109.077 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.7 171.43 31.77 Favored Glycine 0 C--N 1.342 0.863 0 O-C-N 123.488 0.492 . . . . 72.239999999999995 112.113 177.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.3 t -160.49 140.05 10.93 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.927 0.891 . . . . 75.230000000000004 109.063 174.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.0 m -79.65 88.77 5.14 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 121.27 0.557 . . . . 64.409999999999997 110.165 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.42 96.09 10.04 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.269 -0.878 . . . . 44.5 108.769 177.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -133.47 124.98 27.99 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.374 0.669 . . . . 63.25 109.229 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.4 p -133.02 106.96 7.96 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.302 1.041 . . . . 61.299999999999997 108.732 176.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -78.49 94.71 4.99 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.371 0.669 . . . . 65.010000000000005 109.667 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.29 88.83 1.1 Allowed Glycine 0 C--N 1.343 0.967 0 CA-C-N 115.546 -0.752 . . . . 74.430000000000007 111.52 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.0 112.79 1.8 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.005 0.922 . . . . 64.510000000000005 110.115 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.2 t -116.36 74.89 0.92 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.509 0.724 . . . . 64.340000000000003 110.571 -168.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -105.47 98.46 8.15 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 108.122 -1.066 . . . . 75.120000000000005 108.122 172.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -61.4 -36.74 81.12 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.11 0.964 . . . . 71.340000000000003 112.28 -174.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -127.21 39.73 3.85 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.292 1.037 . . . . 61.420000000000002 110.06 -178.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.05 -20.57 64.91 Favored Glycine 0 CA--C 1.538 1.498 0 CA-C-N 116.043 -0.526 . . . . 61.329999999999998 112.681 173.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.46 53.01 0.33 Allowed Glycine 0 C--N 1.346 1.1 0 N-CA-C 110.697 -0.961 . . . . 74.329999999999998 110.697 173.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -149.03 90.41 4.74 Favored Pre-proline 0 N--CA 1.481 1.101 0 C-N-CA 123.703 0.801 . . . . 75.099999999999994 109.537 -177.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 73.0 Cg_endo -83.68 141.31 9.72 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.671 2.247 . . . . 74.010000000000005 112.683 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 28' ' ' PRO . 22.7 Cg_exo -65.9 102.38 0.53 Allowed 'Trans proline' 0 C--N 1.382 2.297 0 C-N-CA 123.05 2.5 . . . . 51.219999999999999 111.722 176.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.58 131.15 40.71 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.622 0.769 . . . . 72.409999999999997 111.649 -175.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.0 mt -87.26 158.23 19.14 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.893 0.877 . . . . 73.230000000000004 110.45 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.7 pt -70.18 100.07 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 C-N-CA 123.483 0.713 . . . . 60.0 111.686 -176.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.5 m -70.07 -16.88 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 CA-C-N 115.665 -0.698 . . . . 73.319999999999993 111.8 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -127.0 65.46 63.99 Favored Pre-proline 0 CA--C 1.556 1.206 0 C-N-CA 124.625 1.17 . . . . 65.420000000000002 109.921 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.46 -30.9 35.35 Favored 'Trans proline' 0 C--N 1.38 2.21 0 C-N-CA 123.348 2.699 . . . . 70.5 113.928 -166.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.4 mt -99.71 -78.39 0.51 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.406 0.682 . . . . 72.209999999999994 109.19 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 52.0 ttm -162.97 134.68 5.1 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 108.508 -0.923 . . . . 72.310000000000002 108.508 -175.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -163.39 122.49 2.07 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 107.463 -1.31 . . . . 63.229999999999997 107.463 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -69.74 95.4 0.88 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.511 0.724 . . . . 74.109999999999999 110.002 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.4 mt -107.85 139.43 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.704 0.802 . . . . 70.430000000000007 109.637 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.577 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 14.5 t -77.08 97.83 4.83 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 108.155 -1.054 . . . . 62.25 108.155 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -65.17 -24.68 67.45 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 114.631 -1.168 . . . . 65.439999999999998 112.876 -169.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.8 mt -59.72 -43.16 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 122.986 0.514 . . . . 72.329999999999998 111.243 169.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.883 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 25.4 p -106.58 3.99 27.57 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 122.302 -0.248 . . . . 74.409999999999997 111.416 -176.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.3 p30 55.49 9.51 0.39 Allowed 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 126.166 1.787 . . . . 74.239999999999995 113.873 -178.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -135.72 146.19 47.45 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.158 0.983 . . . . 74.310000000000002 108.964 -172.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.53 50.93 1.24 Allowed Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.678 -0.569 . . . . 51.450000000000003 111.678 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -42.83 -76.28 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 125.516 1.526 . . . . 61.119999999999997 112.928 -175.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.4 t -113.18 103.77 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 109.568 -0.53 . . . . 70.450000000000003 109.568 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.39 -24.89 64.83 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.75 0.82 . . . . 72.109999999999999 111.593 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -72.76 -20.77 61.12 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.973 0.909 . . . . 61.020000000000003 111.125 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.1 m -110.1 9.08 24.12 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.938 0.895 . . . . 65.019999999999996 111.037 177.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 48.9 ttm -91.91 115.72 28.3 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 123.113 0.565 . . . . 75.239999999999995 109.637 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 59.1 mt -102.71 153.01 20.55 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 124.453 1.101 . . . . 72.010000000000005 110.213 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.27 116.26 22.36 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 105.99 -1.855 . . . . 63.310000000000002 105.99 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.555 ' SG ' ' HB2' ' A' ' 59' ' ' CYS . 44.4 t -58.0 113.64 1.98 Allowed 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.634 0.584 . . . . 72.140000000000001 111.575 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.676 ' HB2' ' HB3' ' A' ' 79' ' ' GLU . 29.5 t70 -51.35 -48.79 62.34 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.84 1.256 . . . . 72.310000000000002 110.962 173.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.456 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -96.95 55.06 1.34 Allowed Glycine 0 C--N 1.347 1.142 0 O-C-N 123.948 0.78 . . . . 71.120000000000005 112.016 175.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.555 ' HB2' ' SG ' ' A' ' 56' ' ' CYS . 33.3 m 177.09 -155.88 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 127.708 2.403 . . . . 65.150000000000006 105.952 170.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -161.28 104.96 1.29 Allowed 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.098 -1.075 . . . . 71.040000000000006 108.098 167.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.41 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 10.4 t70 -175.68 146.25 0.74 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.475 1.11 . . . . 74.329999999999998 108.542 177.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 54.7 m -92.88 123.91 36.48 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.967 0.507 . . . . 74.209999999999994 110.656 -177.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 61' ' ' ASP . 69.9 m-85 -122.88 147.97 45.97 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.461 1.105 . . . . 70.329999999999998 108.551 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.78 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 24.5 m80 -93.05 153.05 18.93 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 108.632 -0.877 . . . . 62.350000000000001 108.632 165.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.435 HG22 HD12 ' A' ' 72' ' ' LEU . 32.6 p -60.65 -39.64 89.06 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.626 1.203 . . . . 72.049999999999997 109.964 169.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -65.06 -38.03 89.5 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.834 1.254 . . . . 73.409999999999997 111.552 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.78 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 79.7 m -70.71 -18.99 62.8 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.658 0.783 . . . . 65.209999999999994 112.99 -174.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 85.3 mt -90.6 143.24 26.93 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.508 0.723 . . . . 75.129999999999995 109.565 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 mp -107.08 118.56 53.64 Favored Pre-proline 0 N--CA 1.49 1.561 0 C-N-CA 123.642 0.777 . . . . 71.519999999999996 109.741 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -80.24 160.41 85.71 Favored 'Cis proline' 0 C--N 1.385 2.467 0 CA-C-N 119.943 1.015 . . . . 70.209999999999994 111.221 -4.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.432 ' HA ' ' O ' ' A' ' 65' ' ' THR . 76.0 Cg_exo -53.26 137.33 63.84 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 122.383 2.055 . . . . 64.510000000000005 112.055 174.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.435 HD12 HG22 ' A' ' 65' ' ' THR . 69.5 mt -68.82 101.3 1.31 Allowed 'General case' 0 CA--C 1.542 0.67 0 O-C-N 123.53 0.518 . . . . 72.319999999999993 110.11 -173.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.8 m -55.41 -35.73 65.69 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 125.082 1.353 . . . . 74.340000000000003 111.966 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.4 m -109.85 136.38 49.25 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 123.806 0.842 . . . . 71.129999999999995 108.798 173.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.6 mm -78.38 122.55 85.23 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 107.696 -1.224 . . . . 75.540000000000006 107.696 167.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -48.25 110.86 0.37 Allowed 'Trans proline' 0 C--N 1.377 2.033 0 C-N-CA 123.465 2.776 . . . . 63.310000000000002 113.453 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -61.29 -40.2 93.26 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.582 1.153 . . . . 75.420000000000002 110.849 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -96.59 175.99 32.04 Favored Glycine 0 C--N 1.341 0.84 0 N-CA-C 110.658 -0.977 . . . . 34.340000000000003 110.658 170.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.676 ' HB3' ' HB2' ' A' ' 57' ' ' ASP . 22.8 mm-40 -56.13 134.58 52.92 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.605 0.762 . . . . 74.310000000000002 110.868 177.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -89.51 135.7 33.45 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.714 0.806 . . . . 74.549999999999997 109.327 -172.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.0 mt -101.26 132.77 46.62 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 108.432 -0.951 . . . . 72.129999999999995 108.432 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.779 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 17.2 p -62.45 141.09 96.63 Favored Pre-proline 0 CA--C 1.553 1.069 0 CA-C-O 118.751 -0.642 . . . . 64.030000000000001 109.637 172.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.23 -27.87 31.86 Favored 'Trans proline' 0 C--N 1.39 2.711 0 C-N-CA 123.913 3.075 . . . . 70.340000000000003 113.772 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -57.53 -46.91 83.29 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.427 1.091 . . . . 73.310000000000002 110.331 174.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.779 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 63.2 m -81.82 -31.76 31.55 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.918 -1.037 . . . . 71.340000000000003 111.869 -176.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.6 t -53.2 -37.68 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 123.519 0.728 . . . . 70.329999999999998 111.518 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.9 t -84.46 75.8 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 CA-C-O 121.94 0.876 . . . . 73.420000000000002 109.231 174.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -118.02 168.95 10.07 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 114.786 -1.097 . . . . 74.200000000000003 110.764 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -147.88 168.16 22.93 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 107.554 -1.276 . . . . 71.349999999999994 107.554 171.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 52.0 t -47.03 -46.79 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 C-N-CA 123.787 0.835 . . . . 42.039999999999999 111.471 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.2 m -78.73 95.49 5.33 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.475 -0.784 . . . . 72.019999999999996 110.713 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -79.69 160.35 69.67 Favored Pre-proline 0 N--CA 1.484 1.237 0 N-CA-C 108.86 -0.792 . . . . 72.349999999999994 108.86 166.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.56 45.48 1.26 Allowed 'Trans proline' 0 CA--C 1.569 2.231 0 C-N-CA 122.672 2.248 . . . . 61.210000000000001 113.268 172.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 . . . . . 0 C--O 1.246 0.909 0 N-CA-C 107.123 -1.436 . . . . 73.209999999999994 107.123 175.532 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.883 'ZN ' ' HG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . 0.624 'ZN ' ' SG ' ' A' ' 85' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.472 0.669 0 N-CA-C 109.214 -0.662 . . . . 75.400000000000006 109.214 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 68.4 m80 56.61 33.18 22.31 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.299 1.04 . . . . 54.130000000000003 112.653 167.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.5 ttt -103.82 34.62 2.93 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 108.86 -0.793 . . . . 71.340000000000003 108.86 176.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.4 p -68.25 -54.06 20.26 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 108.489 -0.93 . . . . 63.039999999999999 108.489 171.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.57 -58.14 5.03 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-N 115.38 -0.827 . . . . 60.049999999999997 112.73 173.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.8 -70.79 2.66 Favored Glycine 0 C--N 1.344 1.016 0 N-CA-C 109.939 -1.264 . . . . 74.409999999999997 109.939 -170.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.2 t -87.14 138.07 32.68 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 124.392 1.077 . . . . 60.240000000000002 108.432 168.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -65.35 84.63 0.2 Allowed 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 121.988 1.792 . . . . 35.229999999999997 111.27 172.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.8 mt -82.4 88.4 6.58 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 115.411 -0.813 . . . . 64.140000000000001 110.279 -176.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.58 26.22 2.39 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.962 0.905 . . . . 50.420000000000002 110.508 175.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.8 p -69.64 91.84 0.62 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.867 0.867 . . . . 51.530000000000001 110.625 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.65 107.44 0.2 Allowed Glycine 0 C--N 1.339 0.732 0 N-CA-C 111.579 -0.609 . . . . 51.539999999999999 111.579 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 t -145.47 89.04 1.89 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.143 0.973 . . . . 65.040000000000006 109.604 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.6 p -82.25 75.45 9.17 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.324 -0.853 . . . . 73.0 109.247 172.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.7 97.09 0.6 Allowed 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.691 -0.686 . . . . 50.329999999999998 109.591 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -76.22 176.89 7.66 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 115.582 -0.735 . . . . 72.120000000000005 110.706 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.6 p -67.93 93.17 0.4 Allowed 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.827 -0.624 . . . . 72.420000000000002 110.63 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.67 164.57 11.78 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.412 -0.813 . . . . 74.319999999999993 111.205 178.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.81 22.85 71.0 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.654 -0.578 . . . . 74.239999999999995 111.654 -169.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.19 137.24 41.16 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 123.684 0.794 . . . . 44.520000000000003 109.137 173.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.8 m -54.04 111.73 0.82 Allowed 'General case' 0 CA--C 1.547 0.836 0 O-C-N 124.146 0.904 . . . . 74.450000000000003 112.887 -170.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -102.32 29.02 5.43 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.948 1.299 . . . . 64.310000000000002 109.852 173.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -71.95 87.64 1.03 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.872 0.869 . . . . 64.319999999999993 109.983 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.449 ' HE3' HG22 ' A' ' 90' ' ' VAL . 53.3 pttt -146.97 39.28 1.02 Allowed 'General case' 0 C--O 1.243 0.761 0 CA-C-N 114.588 -1.187 . . . . 72.329999999999998 109.29 176.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.11 68.44 1.69 Allowed Glycine 0 C--N 1.353 1.524 0 N-CA-C 109.761 -1.336 . . . . 54.299999999999997 109.761 167.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.4 149.24 5.36 Favored Glycine 0 C--N 1.341 0.833 0 N-CA-C 110.329 -1.108 . . . . 51.219999999999999 110.329 -168.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 55.01 68.48 2.54 Favored Pre-proline 0 CA--C 1.557 1.234 0 C-N-CA 124.219 1.008 . . . . 73.25 110.893 -173.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.22 129.45 34.3 Favored 'Trans proline' 0 C--N 1.377 2.072 0 C-N-CA 122.806 2.337 . . . . 65.310000000000002 111.421 175.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -41.1 -74.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.391 2.773 0 C-N-CA 124.346 3.364 . . . . 73.019999999999996 114.263 -173.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -176.59 124.67 0.17 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.875 0.87 . . . . 62.119999999999997 110.82 172.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -78.18 144.99 35.87 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 108.337 -0.986 . . . . 74.010000000000005 108.337 168.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.8 mt 61.6 76.45 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 C-N-CA 124.517 1.127 . . . . 54.130000000000003 109.229 -175.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.4 p -69.59 171.61 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 CA-C-N 114.729 -1.123 . . . . 75.349999999999994 108.992 172.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.39 112.62 6.24 Favored Pre-proline 0 CA--C 1.561 1.383 0 CA-C-N 118.214 0.461 . . . . 74.030000000000001 110.107 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -84.59 -9.23 9.19 Favored 'Trans proline' 0 C--N 1.382 2.309 0 C-N-CA 122.783 2.322 . . . . 70.209999999999994 112.77 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 77.7 mt -88.47 -11.45 45.86 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.591 0.756 . . . . 55.399999999999999 110.524 -176.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 45.3 ttp 63.31 41.95 7.33 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 124.664 1.186 . . . . 70.049999999999997 109.453 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 121.11 18.01 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 107.926 -1.139 . . . . 73.430000000000007 107.926 173.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.562 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 31.5 m-85 -71.55 85.95 0.87 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.867 0.841 . . . . 71.010000000000005 110.274 -173.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.8 mt -111.68 122.79 66.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 C-N-CA 125.675 1.59 . . . . 64.420000000000002 108.592 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.526 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 52.9 t -65.55 110.91 2.89 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.463 -0.939 . . . . 45.420000000000002 108.463 174.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -65.27 -9.97 28.46 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.492 1.517 . . . . 73.209999999999994 112.75 -170.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.4 mt -102.36 -27.88 3.22 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 124.044 0.938 . . . . 74.120000000000005 110.108 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.729 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 68.5 m -89.24 -20.33 24.28 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.266 0.626 . . . . 75.329999999999998 111.848 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.1 t30 74.55 -8.68 1.45 Allowed 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 125.397 1.479 . . . . 74.319999999999993 111.934 -174.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.18 159.13 42.82 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.002 0.921 . . . . 74.519999999999996 110.201 172.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.78 50.45 0.77 Allowed Glycine 0 C--N 1.338 0.694 0 CA-C-N 115.976 -0.556 . . . . 74.510000000000005 111.968 176.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -59.04 -34.97 72.53 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.388 1.075 . . . . 43.409999999999997 112.131 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.561 HG12 ' H ' ' A' ' 52' ' ' SER . 54.7 t -116.48 94.51 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.115 0.566 . . . . 71.200000000000003 109.748 172.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.08 -24.41 62.31 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.639 0.376 . . . . 74.420000000000002 110.867 173.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.74 -37.63 88.09 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.387 1.075 . . . . 74.040000000000006 113.024 -174.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.561 ' H ' HG12 ' A' ' 49' ' ' VAL . 17.7 m -100.58 14.79 30.22 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.179 0.592 . . . . 73.549999999999997 110.76 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.574 ' SD ' ' HB3' ' A' ' 62' ' ' SER . 44.8 ttm -95.71 122.25 38.28 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 123.295 0.638 . . . . 73.120000000000005 110.777 -175.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.8 mt -89.61 148.22 23.47 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 125.282 1.433 . . . . 74.430000000000007 109.273 174.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -115.86 129.41 56.41 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.202 0.601 . . . . 71.239999999999995 109.526 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.447 ' HB3' ' H ' ' A' ' 61' ' ' ASP . 42.3 t -72.38 86.84 1.14 Allowed 'General case' 0 C--N 1.351 0.659 0 N-CA-C 108.903 -0.777 . . . . 73.530000000000001 108.903 173.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.9 85.17 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 125.3 1.44 . . . . 70.400000000000006 111.52 -175.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 153.75 -29.25 0.75 Allowed Glycine 0 C--N 1.346 1.116 0 CA-C-N 115.867 -0.606 . . . . 72.530000000000001 112.89 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.2 p -128.24 -8.47 5.31 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.679 0.792 . . . . 74.329999999999998 111.454 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 61.15 76.4 0.37 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.437 1.495 . . . . 72.239999999999995 112.003 175.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.447 ' H ' ' HB3' ' A' ' 56' ' ' CYS . 19.3 m-20 -121.54 119.99 33.55 Favored 'General case' 0 C--O 1.245 0.851 0 N-CA-C 108.102 -1.073 . . . . 73.099999999999994 108.102 174.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.574 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 30.5 m -93.91 123.49 37.3 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.188 0.595 . . . . 73.519999999999996 110.058 -177.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -140.01 161.68 37.03 Favored 'General case' 0 C--O 1.208 -1.088 0 C-N-CA 124.689 1.196 . . . . 72.150000000000006 109.795 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.657 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 38.0 m80 -97.55 156.05 16.68 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 109.315 -0.624 . . . . 71.230000000000004 109.315 169.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.6 p -54.18 -48.27 71.12 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.946 0.898 . . . . 61.210000000000001 111.153 173.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -78.22 -17.91 56.11 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 115.174 -0.921 . . . . 74.310000000000002 112.682 -176.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 88.0 m -75.91 -32.6 59.7 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.045 0.538 . . . . 74.319999999999993 111.908 178.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.1 mt -71.26 150.98 44.7 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.937 0.895 . . . . 74.349999999999994 112.661 -174.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.7 mp -118.0 112.65 38.09 Favored Pre-proline 0 CA--C 1.555 1.16 0 N-CA-C 107.768 -1.197 . . . . 75.140000000000001 107.768 167.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 91.3 Cg_endo -75.98 144.28 79.28 Favored 'Cis proline' 0 C--N 1.383 2.392 0 CA-C-N 120.395 1.177 . . . . 42.210000000000001 112.773 -0.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 70' ' ' PRO . 17.4 Cg_exo -66.54 138.81 51.3 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.374 2.05 . . . . 73.230000000000004 111.462 177.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.0 mt -91.5 131.1 37.17 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.974 -0.557 . . . . 74.400000000000006 109.613 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.9 t -74.97 -14.75 60.66 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.51 0.724 . . . . 73.319999999999993 111.223 -177.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.7 p -150.78 160.67 43.71 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.332 1.053 . . . . 74.019999999999996 110.381 -174.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 76.0 mt -81.75 117.28 67.67 Favored Pre-proline 0 CA--C 1.552 1.053 0 C-N-CA 123.979 0.912 . . . . 73.120000000000005 109.077 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -81.04 58.86 7.21 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 123.065 2.51 . . . . 52.140000000000001 111.814 177.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.4 tttp 73.03 -28.77 0.19 Allowed 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 125.89 1.676 . . . . 74.25 113.793 178.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.51 -30.42 9.54 Favored Glycine 0 C--N 1.343 0.936 0 N-CA-C 111.301 -0.719 . . . . 73.239999999999995 111.301 -169.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -74.83 89.05 2.31 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 107.532 -1.284 . . . . 61.009999999999998 107.532 170.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -145.85 154.96 42.56 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 114.832 -1.076 . . . . 73.329999999999998 109.755 -168.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 98.3 mt -119.96 130.16 54.65 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.532 0.733 . . . . 74.030000000000001 109.414 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 14.4 p -67.47 143.1 96.89 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 123.804 0.842 . . . . 43.240000000000002 111.018 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.52 -30.33 53.79 Favored 'Trans proline' 0 C--N 1.385 2.486 0 C-N-CA 123.327 2.684 . . . . 64.129999999999995 113.151 -178.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -68.4 -34.08 75.39 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 115.841 -0.618 . . . . 73.299999999999997 111.436 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.3 m -85.76 -23.87 27.1 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 122.568 0.347 . . . . 73.120000000000005 111.846 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.0 t -69.55 -44.55 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 122.567 0.347 . . . . 74.019999999999996 110.234 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.3 t -76.91 -21.41 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 116.108 -0.496 . . . . 60.039999999999999 109.848 171.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 71.66 124.17 0.03 OUTLIER 'General case' 0 C--N 1.352 0.71 0 C-N-CA 126.828 2.051 . . . . 73.340000000000003 111.097 -175.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -60.78 126.69 28.32 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 123.536 0.734 . . . . 71.450000000000003 109.617 173.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.449 HG22 ' HE3' ' A' ' 24' ' ' LYS . 35.5 m -55.82 121.1 3.36 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 O-C-N 124.168 0.917 . . . . 74.430000000000007 110.052 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 67.8 p -83.78 46.43 1.17 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.965 0.906 . . . . 74.200000000000003 111.744 -168.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.8 tptt 59.84 95.85 0.05 OUTLIER Pre-proline 0 CA--C 1.556 1.2 0 C-N-CA 124.797 1.239 . . . . 41.340000000000003 110.667 -172.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.36 150.25 70.43 Favored 'Trans proline' 0 C--N 1.378 2.1 0 C-N-CA 122.364 2.042 . . . . 64.200000000000003 111.67 174.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.118 0 N-CA-C 108.405 -0.961 . . . . 73.519999999999996 108.405 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.729 'ZN ' ' HG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.6 m . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 110.387 -0.227 . . . . 75.030000000000001 110.387 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -68.84 110.15 4.23 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 109.343 -0.614 . . . . 75.239999999999995 109.343 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.0 tpt -109.14 116.62 32.27 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 108.777 -0.824 . . . . 72.450000000000003 108.777 176.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.6 m -78.18 79.1 4.65 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.287 -0.635 . . . . 72.5 109.287 173.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -112.74 132.96 11.04 Favored Glycine 0 C--N 1.338 0.683 0 N-CA-C 111.098 -0.801 . . . . 74.430000000000007 111.098 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.37 151.89 23.83 Favored Glycine 0 C--N 1.344 0.973 0 O-C-N 123.694 0.291 . . . . 23.239999999999998 112.943 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.2 m -123.84 85.99 53.55 Favored Pre-proline 0 CA--C 1.546 0.804 0 N-CA-C 107.825 -1.176 . . . . 74.450000000000003 107.825 172.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -62.88 124.94 14.92 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 123.118 2.545 . . . . 73.310000000000002 112.042 -176.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 mp -79.2 70.31 5.56 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 123.835 0.854 . . . . 64.230000000000004 108.953 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.7 94.95 0.47 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.334 0.653 . . . . 61.119999999999997 109.753 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 t -114.11 151.06 33.16 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 123.507 0.723 . . . . 71.329999999999998 111.766 -169.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.54 54.16 0.38 Allowed Glycine 0 C--N 1.336 0.56 0 CA-C-N 114.596 -1.183 . . . . 70.010000000000005 110.487 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.4 p -73.99 83.83 1.75 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.545 0.738 . . . . 73.129999999999995 111.434 -175.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.3 p -122.39 120.85 35.2 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.39 1.076 . . . . 74.010000000000005 108.112 176.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.18 23.86 3.83 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.714 0.806 . . . . 74.239999999999995 110.618 -177.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -67.02 129.72 40.79 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.651 0.78 . . . . 63.130000000000003 110.627 -173.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.5 p -92.61 109.43 20.85 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.0 0.92 . . . . 73.25 109.479 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -96.12 -9.1 31.54 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.602 0.761 . . . . 73.040000000000006 111.598 -174.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.64 57.75 5.04 Favored Glycine 0 C--N 1.352 1.426 0 CA-C-N 116.748 -0.205 . . . . 71.340000000000003 113.16 -174.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.18 79.02 9.51 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 108.841 -0.799 . . . . 65.450000000000003 108.841 175.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.3 m -144.46 96.73 2.92 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.026 -0.988 . . . . 54.439999999999998 109.396 -176.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -138.74 118.73 13.36 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.133 0.573 . . . . 64.310000000000002 109.742 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -121.49 139.53 53.37 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 109.168 -0.679 . . . . 74.420000000000002 109.168 176.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -137.38 132.32 33.35 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 109.031 -0.729 . . . . 61.439999999999998 109.031 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.69 -116.8 0.85 Allowed Glycine 0 C--N 1.338 0.657 0 N-CA-C 109.979 -1.248 . . . . 52.229999999999997 109.979 -175.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.9 67.03 1.9 Allowed Glycine 0 C--N 1.341 0.823 0 CA-C-N 116.86 0.33 . . . . 72.129999999999995 112.492 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -65.29 112.63 8.81 Favored Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 123.896 0.878 . . . . 75.319999999999993 109.762 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -70.89 143.13 44.58 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.515 2.144 . . . . 72.129999999999995 111.894 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.18 112.68 2.6 Favored 'Trans proline' 0 C--N 1.371 1.76 0 C-N-CA 122.56 2.173 . . . . 62.039999999999999 111.622 178.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.2 -14.89 62.41 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.096 0.959 . . . . 61.32 112.418 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.1 tt -71.95 120.81 18.07 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.317 -0.623 . . . . 62.350000000000001 109.317 177.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.2 pt -119.05 139.9 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.267 1.027 . . . . 45.43 109.034 177.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.4 m -77.8 -25.98 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 123.479 0.712 . . . . 52.240000000000002 111.81 -175.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -140.29 113.01 7.35 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 123.58 0.752 . . . . 61.439999999999998 109.656 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -88.1 -10.27 4.97 Favored 'Trans proline' 0 C--N 1.37 1.681 0 C-N-CA 122.963 2.442 . . . . 71.230000000000004 113.847 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.47 -93.21 0.05 Allowed 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 118.492 0.587 . . . . 64.519999999999996 112.238 -173.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 48.7 tpp -140.95 87.29 2.09 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 108.753 -0.832 . . . . 62.240000000000002 108.753 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -113.1 113.62 25.67 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 106.198 -1.778 . . . . 72.329999999999998 106.198 170.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.4 ' HB2' ' SD ' ' A' ' 53' ' ' MET . 89.1 m-85 -59.55 99.53 0.06 Allowed 'General case' 0 CA--C 1.547 0.839 0 O-C-N 123.688 0.618 . . . . 74.439999999999998 110.003 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.1 mt -72.42 116.94 15.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.687 0 C-N-CA 123.48 0.712 . . . . 73.439999999999998 110.579 -175.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 48.7 t -64.84 121.5 14.75 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 108.586 -0.894 . . . . 74.439999999999998 108.586 176.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -67.93 -4.07 11.84 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 112.612 0.597 . . . . 74.230000000000004 112.612 -174.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.6 mt -112.89 -49.37 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 123.698 0.799 . . . . 63.539999999999999 111.344 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.646 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 26.5 p -107.35 -3.95 19.11 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.869 -0.519 . . . . 51.149999999999999 112.313 -170.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 75.6 -56.5 0.6 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 126.243 1.817 . . . . 53.409999999999997 113.093 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.83 135.11 57.45 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.296 0.639 . . . . 75.530000000000001 112.003 -175.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.38 30.25 7.41 Favored Glycine 0 N--CA 1.475 1.276 0 N-CA-C 110.907 -0.877 . . . . 65.310000000000002 110.907 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -88.81 -25.37 22.25 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.177 0.991 . . . . 74.319999999999993 110.758 -173.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.2 t -84.36 63.39 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 N-CA-C 107.629 -1.248 . . . . 54.299999999999997 107.629 168.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.7 ' HA ' ' HB2' ' A' ' 53' ' ' MET . 11.5 pt-20 -73.41 -20.21 60.79 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.519 -1.219 . . . . 73.439999999999998 111.237 -175.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -57.87 -35.07 70.45 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 124.405 1.082 . . . . 73.25 111.151 170.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.8 t -106.02 8.66 32.47 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.799 0.839 . . . . 71.040000000000006 111.795 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.7 ' HB2' ' HA ' ' A' ' 50' ' ' GLU . 4.2 tpt -67.83 102.55 1.26 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.985 0.514 . . . . 63.119999999999997 110.324 -175.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.2 mt -92.26 122.39 34.69 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.332 1.053 . . . . 73.519999999999996 108.994 176.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -111.59 116.08 30.23 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 108.269 -1.011 . . . . 74.120000000000005 108.269 -177.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.9 t -72.53 83.46 1.11 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.537 -0.912 . . . . 65.430000000000007 108.537 174.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -63.02 99.52 0.17 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.503 -0.771 . . . . 74.109999999999999 110.659 -178.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.87 -31.54 0.99 Allowed Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.412 -1.075 . . . . 72.329999999999998 110.412 -174.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.2 p -147.04 10.64 1.02 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.899 0.88 . . . . 74.120000000000005 112.367 -177.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 60.84 14.49 5.21 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 114.794 1.405 . . . . 64.409999999999997 114.794 171.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.447 ' HB3' ' HE2' ' A' ' 63' ' ' TYR . 51.6 m-20 -66.56 99.35 0.57 Allowed 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.179 0.445 . . . . 72.420000000000002 110.445 -176.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 m -83.54 126.99 33.37 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.566 -0.743 . . . . 74.450000000000003 109.497 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.447 ' HE2' ' HB3' ' A' ' 61' ' ' ASP . 89.6 m-85 -143.16 175.46 9.86 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.442 1.097 . . . . 73.099999999999994 108.717 177.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.667 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 45.3 m80 -113.22 166.02 11.85 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.104 -0.702 . . . . 74.349999999999994 109.104 165.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.5 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 50.3 p -57.4 -46.66 83.22 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 123.907 0.754 . . . . 72.150000000000006 111.027 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -81.42 -4.24 55.22 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.654 1.182 . . . . 75.219999999999999 113.194 -176.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.667 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 99.4 m -78.93 -50.52 11.04 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 118.423 0.556 . . . . 73.230000000000004 112.384 -175.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.432 HD12 ' H ' ' A' ' 68' ' ' LEU . 4.1 mp -70.93 174.45 6.15 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 113.088 0.773 . . . . 71.530000000000001 113.088 -173.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.6 tp -127.92 112.08 20.32 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 124.635 1.174 . . . . 73.040000000000006 107.956 171.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -73.73 135.51 40.39 Favored 'Cis proline' 0 C--N 1.379 2.16 0 CA-C-N 120.581 1.243 . . . . 54.020000000000003 113.358 4.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.77 122.13 8.56 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 122.622 2.215 . . . . 62.119999999999997 111.185 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.5 ' O ' ' HB ' ' A' ' 65' ' ' THR . 62.8 mt -70.99 88.43 0.76 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.378 1.071 . . . . 74.409999999999997 111.075 -176.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.1 p -70.09 -37.5 75.44 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 109.12 -0.696 . . . . 73.239999999999995 109.12 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.8 p -83.8 127.71 34.01 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.383 -0.826 . . . . 75.409999999999997 109.09 168.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.1 mm -58.77 130.23 85.57 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 124.437 1.095 . . . . 75.409999999999997 111.471 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -66.08 -179.9 1.61 Allowed 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 122.732 2.288 . . . . 72.120000000000005 112.68 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -83.08 35.9 0.5 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.03 0.932 . . . . 75.310000000000002 112.961 -170.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.98 -77.16 0.83 Allowed Glycine 0 C--N 1.35 1.332 0 N-CA-C 111.467 -0.653 . . . . 72.230000000000004 111.467 -173.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -68.16 99.69 0.93 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.072 0.949 . . . . 73.409999999999997 108.767 173.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -120.56 137.66 54.28 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.057 1.343 . . . . 73.540000000000006 109.123 -175.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.0 mt -122.12 146.19 47.45 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.719 0.808 . . . . 45.420000000000002 108.914 168.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.5 p -63.08 140.87 97.71 Favored Pre-proline 0 CA--C 1.55 0.974 0 CA-C-O 118.517 -0.754 . . . . 72.25 109.736 173.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -43.88 -34.72 6.34 Favored 'Trans proline' 0 C--N 1.382 2.294 0 C-N-CA 124.286 3.324 . . . . 73.5 115.511 -173.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -70.04 -39.61 75.63 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.703 0.801 . . . . 70.439999999999998 110.714 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 58.8 m -83.06 -20.11 35.58 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.445 0.698 . . . . 43.030000000000001 112.17 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.13 -44.56 95.41 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 N-CA-C 109.494 -0.558 . . . . 34.43 109.494 168.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.3 t -86.15 66.7 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 CA-C-O 122.598 1.189 . . . . 52.219999999999999 108.125 170.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -67.08 -42.36 84.79 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 114.043 -1.435 . . . . 71.420000000000002 112.036 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 59.38 -71.22 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.264 1.425 . . . . 64.540000000000006 112.157 -171.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 53.7 t 57.96 82.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.969 0 C-N-CA 124.652 1.181 . . . . 74.5 110.492 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.0 t -149.32 93.57 2.09 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.654 -1.239 . . . . 73.120000000000005 107.654 -176.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -148.46 143.11 16.99 Favored Pre-proline 0 C--O 1.244 0.776 0 CA-C-N 115.181 -0.918 . . . . 65.319999999999993 109.687 -169.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.15 112.15 1.21 Allowed 'Trans proline' 0 C--N 1.375 1.95 0 C-N-CA 122.278 1.986 . . . . 65.540000000000006 109.709 164.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 . . . . . 0 C--O 1.248 0.978 0 C-N-CA 123.645 0.778 . . . . 70.209999999999994 111.526 -171.181 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.646 'ZN ' ' SG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.7 t . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 109.838 -0.43 . . . . 72.129999999999995 109.838 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -64.51 -32.8 74.6 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.315 1.046 . . . . 71.430000000000007 111.581 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 52.2 ttm -88.99 126.03 35.24 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.724 0.81 . . . . 71.040000000000006 110.298 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.0 m -139.68 67.44 1.38 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.676 0.79 . . . . 71.319999999999993 109.361 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -103.05 99.35 1.78 Allowed Glycine 0 C--N 1.343 0.966 0 CA-C-N 115.705 -0.68 . . . . 22.239999999999998 112.012 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 153.03 19.24 0.05 OUTLIER Glycine 0 C--N 1.344 0.974 0 C-N-CA 123.067 0.365 . . . . 53.530000000000001 113.028 175.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.3 p -82.01 156.35 69.67 Favored Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 123.639 0.776 . . . . 44.219999999999999 110.615 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -87.62 19.53 1.34 Allowed 'Trans proline' 0 C--N 1.372 1.782 0 C-N-CA 122.759 2.306 . . . . 55.119999999999997 113.096 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.94 -40.77 98.66 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.94 0.896 . . . . 70.329999999999998 111.041 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.46 96.51 4.72 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 115.514 -0.766 . . . . 53.329999999999998 109.194 174.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 t -74.96 146.04 42.07 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 109.644 -0.502 . . . . 73.109999999999999 109.644 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.09 -169.98 21.45 Favored Glycine 0 C--N 1.344 1.018 0 CA-C-N 116.182 -0.463 . . . . 65.219999999999999 112.361 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.4 m -66.03 86.73 0.1 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.311 0.644 . . . . 55.329999999999998 111.038 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.4 m -144.8 78.74 1.58 Allowed 'General case' 0 C--O 1.238 0.459 0 N-CA-C 107.686 -1.227 . . . . 72.340000000000003 107.686 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.48 122.06 19.75 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.997 -1.002 . . . . 55.420000000000002 110.307 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -110.2 104.49 13.33 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.509 -0.923 . . . . 70.219999999999999 108.509 171.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.6 m -72.92 83.12 1.22 Allowed 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 108.931 -0.766 . . . . 73.109999999999999 108.931 175.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 -141.9 66.97 1.33 Allowed 'General case' 0 C--O 1.241 0.655 0 CA-C-O 122.228 1.014 . . . . 71.140000000000001 108.545 -176.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.53 147.73 18.71 Favored Glycine 0 C--O 1.242 0.652 0 CA-C-N 114.243 -1.344 . . . . 70.030000000000001 110.328 170.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.99 92.79 0.39 Allowed 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 109.419 -0.586 . . . . 61.439999999999998 109.419 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.2 m -86.01 57.82 4.7 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.399 1.079 . . . . 52.119999999999997 112.048 -170.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -161.76 99.92 1.13 Allowed 'General case' 0 C--O 1.238 0.499 0 N-CA-C 105.98 -1.859 . . . . 73.409999999999997 105.98 175.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HA ' ' HB3' ' A' ' 83' ' ' PRO . 37.3 mtmm -92.22 65.6 4.68 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.577 0.703 . . . . 52.210000000000001 112.119 -169.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -77.91 -9.01 58.86 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.422 -0.808 . . . . 73.340000000000003 110.318 164.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.36 33.04 5.52 Favored Glycine 0 C--N 1.35 1.317 0 N-CA-C 110.638 -0.985 . . . . 51.409999999999997 110.638 165.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.03 -16.53 80.67 Favored Glycine 0 C--N 1.36 1.907 0 C-N-CA 123.537 0.589 . . . . 53.109999999999999 112.636 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.437 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 13.6 mt-10 -63.62 120.71 65.25 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 124.23 1.012 . . . . 73.329999999999998 109.689 173.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 27' ' ' GLU . 16.7 Cg_exo -67.44 -175.14 0.63 Allowed 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 123.828 3.019 . . . . 63.439999999999998 112.103 -178.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -72.3 53.54 2.14 Favored 'Trans proline' 0 C--N 1.388 2.617 0 C-N-CA 122.365 2.043 . . . . 74.319999999999993 113.631 174.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.95 -50.13 72.01 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 108.621 -0.881 . . . . 51.109999999999999 108.621 172.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.97 88.51 5.92 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 106.384 -1.71 . . . . 72.340000000000003 106.384 165.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.6 pt -57.16 109.96 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 C-N-CA 124.014 0.926 . . . . 73.030000000000001 110.645 -177.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.9 p -117.72 142.17 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.918 0.887 . . . . 75.230000000000004 110.746 -171.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -146.17 78.5 11.3 Favored Pre-proline 0 CA--C 1.551 1.016 0 C-N-CA 124.673 1.189 . . . . 55.340000000000003 108.263 175.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -86.0 32.22 0.46 Allowed 'Trans proline' 0 C--N 1.376 2.025 0 C-N-CA 123.331 2.687 . . . . 74.310000000000002 113.786 -169.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.611 HD23 ' H ' ' A' ' 36' ' ' LEU . 1.9 pt? -83.42 4.85 25.82 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.72 0.408 . . . . 62.350000000000001 111.575 178.032 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 25.5 mmt -79.08 -66.89 0.81 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 107.955 -1.128 . . . . 74.010000000000005 107.955 164.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -140.37 131.66 26.66 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.229 1.411 . . . . 72.129999999999995 107.76 172.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -71.89 127.24 31.95 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.422 0.629 . . . . 74.219999999999999 111.208 -174.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.7 mt -114.99 133.66 60.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 C-N-CA 125.015 1.326 . . . . 61.399999999999999 109.728 -172.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 62' ' ' SER . 53.1 t -80.47 112.29 17.67 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 108.06 -1.089 . . . . 65.140000000000001 108.06 168.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -54.85 -42.32 71.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 124.19 0.931 . . . . 64.239999999999995 111.747 -174.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 58.3 mt -60.01 -45.85 94.91 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 C-N-CA 124.443 1.097 . . . . 74.140000000000001 111.278 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.669 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 29.3 m -80.88 -18.03 48.65 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.056 0.942 . . . . 74.420000000000002 111.574 -177.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 64.17 16.02 9.74 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.291 1.437 . . . . 73.310000000000002 112.049 -175.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.444 ' HG3' ' HB2' ' A' ' 48' ' ' ASP . 20.0 ptt-85 -162.04 174.62 12.76 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.003 0.921 . . . . 70.430000000000007 110.764 -177.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.21 -42.83 82.48 Favored Glycine 0 C--N 1.348 1.198 0 O-C-N 123.708 0.63 . . . . 41.149999999999999 112.227 175.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.444 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 27.5 t70 62.61 -89.15 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 124.629 1.172 . . . . 64.129999999999995 112.322 172.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.407 HG12 ' H ' ' A' ' 52' ' ' SER . 93.4 t -123.45 92.22 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 107.614 -1.254 . . . . 71.129999999999995 107.614 178.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -61.73 -30.22 70.63 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.45 1.1 . . . . 71.540000000000006 112.032 -172.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -66.85 -37.33 84.25 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.486 0.714 . . . . 74.439999999999998 111.64 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.407 ' H ' HG12 ' A' ' 49' ' ' VAL . 38.0 t -78.89 -20.33 49.71 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.047 0.539 . . . . 52.399999999999999 110.415 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.443 ' SD ' ' HB3' ' A' ' 62' ' ' SER . 48.6 ttm -72.97 117.61 14.91 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.005 0.922 . . . . 71.0 110.875 177.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.9 mp -91.16 151.42 20.97 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 107.916 -1.142 . . . . 73.129999999999995 107.916 169.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.6 123.04 44.26 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 107.509 -1.293 . . . . 75.230000000000004 107.509 -176.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 35.1 t -67.56 123.68 21.13 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.513 0.725 . . . . 63.140000000000001 111.534 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.76 -29.48 67.88 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.852 1.261 . . . . 75.230000000000004 111.846 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.19 0.62 66.52 Favored Glycine 0 C--N 1.345 1.043 0 CA-C-O 118.985 -0.897 . . . . 73.129999999999995 114.462 -174.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 25.8 p -171.4 -153.82 0.09 Allowed 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 117.627 0.713 . . . . 63.420000000000002 110.658 -175.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -118.19 -6.25 10.87 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.593 0.757 . . . . 75.439999999999998 112.564 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -63.5 139.42 58.77 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 118.815 0.734 . . . . 44.229999999999997 110.314 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.555 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 50.0 m -123.4 138.83 54.51 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.707 0.803 . . . . 73.209999999999994 109.3 -174.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.419 ' HB2' ' CH2' ' A' ' 80' ' ' TRP . 57.6 m-85 -143.34 149.8 38.28 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.81 0.844 . . . . 74.209999999999994 109.357 -178.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.647 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 38.6 m80 -87.78 160.63 17.97 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.213 0.605 . . . . 74.340000000000003 110.559 176.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.525 HG22 ' HB2' ' A' ' 72' ' ' LEU . 42.7 p -58.15 -54.83 42.52 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 123.924 0.765 . . . . 71.140000000000001 111.089 175.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -77.26 -14.34 59.77 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.005 -0.998 . . . . 45.219999999999999 112.514 -174.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.671 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 90.9 m -74.28 -14.47 60.91 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 113.437 0.903 . . . . 73.340000000000003 113.437 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 63.3 mt -108.75 150.46 27.56 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.582 0.753 . . . . 74.510000000000005 110.756 -177.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.2 mt -128.86 117.24 19.34 Favored Pre-proline 0 N--CA 1.479 1.025 0 N-CA-C 107.895 -1.15 . . . . 53.100000000000001 107.895 169.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -70.68 142.3 71.6 Favored 'Cis proline' 0 C--N 1.385 2.472 0 CA-C-N 120.649 1.268 . . . . 72.299999999999997 112.301 -0.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.463 ' HG2' HG23 ' A' ' 73' ' ' THR . 59.7 Cg_endo -68.97 161.13 47.04 Favored 'Trans proline' 0 C--N 1.373 1.855 0 C-N-CA 122.449 2.099 . . . . 71.209999999999994 111.964 -177.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.525 ' HB2' HG22 ' A' ' 65' ' ' THR . 49.8 mt -82.19 71.96 9.25 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.856 -0.794 . . . . 71.310000000000002 108.856 176.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.463 HG23 ' HG2' ' A' ' 71' ' ' PRO . 40.9 p -69.92 -27.82 65.1 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 114.753 -1.112 . . . . 63.420000000000002 110.325 -179.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.2 m -118.07 129.74 55.73 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 108.454 -0.943 . . . . 55.109999999999999 108.454 171.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.4 mm -78.45 121.86 84.27 Favored Pre-proline 0 C--O 1.247 0.928 0 C-N-CA 123.517 0.727 . . . . 75.409999999999997 109.529 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -72.64 99.33 1.04 Allowed 'Trans proline' 0 C--N 1.376 1.983 0 C-N-CA 121.934 1.756 . . . . 52.32 110.493 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -58.93 105.67 0.34 Allowed 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 114.566 -1.197 . . . . 71.340000000000003 109.825 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.58 20.35 2.92 Favored Glycine 0 N--CA 1.47 0.938 0 N-CA-C 109.876 -1.29 . . . . 50.109999999999999 109.876 -171.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 67.59 176.57 0.25 Allowed 'General case' 0 C--N 1.359 0.997 0 C-N-CA 126.305 1.842 . . . . 62.5 112.846 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.424 ' CZ2' ' HA ' ' A' ' 82' ' ' CYS . 55.8 t90 -123.0 144.75 49.05 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.337 0.655 . . . . 73.540000000000006 111.92 -164.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.5 mt -106.53 127.22 53.15 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 124.401 1.08 . . . . 73.439999999999998 109.411 171.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.46 ' SG ' ' HB3' ' A' ' 84' ' ' ARG . 32.0 p -67.23 158.34 82.04 Favored Pre-proline 0 N--CA 1.476 0.861 0 CA-C-O 117.939 -1.029 . . . . 63.409999999999997 110.583 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.472 ' HB3' ' HA ' ' A' ' 23' ' ' LYS . 86.2 Cg_exo -46.81 -36.83 20.41 Favored 'Trans proline' 0 C--N 1.382 2.305 0 C-N-CA 122.917 2.411 . . . . 62.450000000000003 113.824 177.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.46 ' HB3' ' SG ' ' A' ' 82' ' ' CYS . 31.8 tpt180 -63.08 -47.13 84.21 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.121 1.368 . . . . 74.120000000000005 111.205 176.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 79.9 m -79.56 -28.04 41.2 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.417 0.687 . . . . 62.409999999999997 112.425 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 82' ' ' CYS . 70.4 t -58.24 -55.85 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.037 0.935 . . . . 61.0 110.736 173.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.9 t 75.39 -53.45 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 C-N-CA 125.427 1.491 . . . . 73.439999999999998 111.415 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -77.27 -164.48 0.47 Allowed 'General case' 0 C--O 1.245 0.849 0 C-N-CA 124.242 1.017 . . . . 63.039999999999999 111.036 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -171.61 152.35 3.15 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.88 0.872 . . . . 62.25 109.355 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.55 81.97 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.094 0 N-CA-C 108.152 -1.055 . . . . 52.030000000000001 108.152 168.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 45.8 t -61.06 110.26 1.31 Allowed 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 114.796 -1.093 . . . . 73.120000000000005 109.453 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp 69.3 86.04 0.13 Allowed Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 125.317 1.447 . . . . 73.540000000000006 109.354 -171.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -57.93 170.88 1.84 Allowed 'Trans proline' 0 C--N 1.386 2.529 0 C-N-CA 123.922 3.081 . . . . 54.229999999999997 113.803 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 . . . . . 0 C--O 1.253 1.267 0 C-N-CA 125.026 1.331 . . . . 73.25 110.428 -175.731 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.671 'ZN ' ' SG ' ' A' ' 67' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.208 -0.293 . . . . 63.030000000000001 110.208 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -80.13 158.27 26.41 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 109.129 -0.693 . . . . 74.230000000000004 109.129 174.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.5 ttt -118.94 92.24 3.75 Favored 'General case' 0 C--O 1.244 0.788 0 C-N-CA 123.143 0.577 . . . . 73.010000000000005 109.857 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.2 p -75.6 91.16 2.82 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.965 -0.754 . . . . 64.200000000000003 108.965 174.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.49 69.45 1.75 Allowed Glycine 0 C--N 1.345 1.028 0 CA-C-N 115.768 -0.651 . . . . 61.310000000000002 112.576 -176.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.73 90.58 0.32 Allowed Glycine 0 C--N 1.348 1.2 0 N-CA-C 111.924 -0.47 . . . . 64.239999999999995 111.924 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.1 t -75.13 106.98 3.28 Favored Pre-proline 0 N--CA 1.477 0.902 0 C-N-CA 124.209 1.004 . . . . 73.439999999999998 109.919 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -93.31 90.52 0.15 Allowed 'Trans proline' 0 C--N 1.371 1.729 0 C-N-CA 122.919 2.413 . . . . 74.409999999999997 112.666 -177.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 70.1 mt -83.37 73.53 10.15 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 108.886 -0.783 . . . . 74.040000000000006 108.886 170.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.05 122.94 26.82 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 114.872 -1.058 . . . . 64.25 109.423 -175.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.7 p -66.58 140.69 57.97 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.781 0.832 . . . . 71.420000000000002 108.796 172.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.96 55.44 4.78 Favored Glycine 0 N--CA 1.478 1.457 0 O-C-N 123.271 0.357 . . . . 75.219999999999999 112.35 -177.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.0 m -78.25 84.15 4.47 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.027 0.931 . . . . 71.219999999999999 109.704 -173.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.5 m -140.36 111.84 7.31 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.922 0.889 . . . . 72.239999999999995 109.352 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.1 77.06 1.66 Allowed 'General case' 0 C--O 1.243 0.717 0 N-CA-C 107.93 -1.137 . . . . 62.240000000000002 107.93 174.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -75.79 94.0 3.23 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 114.972 -1.013 . . . . 74.129999999999995 109.62 -175.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.8 t -71.35 132.47 44.9 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.889 -0.596 . . . . 75.25 109.568 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.79 160.62 36.48 Favored 'General case' 0 C--O 1.244 0.765 0 C-N-CA 123.468 0.707 . . . . 71.010000000000005 109.457 -178.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.72 125.65 2.03 Favored Glycine 0 C--N 1.333 0.409 0 N-CA-C 110.224 -1.15 . . . . 74.430000000000007 110.224 177.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.448 ' HB1' HE22 ' A' ' 22' ' ' GLN . . . -138.24 107.91 6.24 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.53 0.732 . . . . 64.030000000000001 110.163 -175.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.5 m -130.95 70.57 1.46 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.797 -0.816 . . . . 74.219999999999999 108.797 175.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.448 HE22 ' HB1' ' A' ' 20' ' ' ALA . 1.7 mp0 -69.85 85.05 0.49 Allowed 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.215 -0.902 . . . . 74.230000000000004 109.733 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -66.43 -43.61 85.19 Favored 'General case' 0 C--N 1.348 0.515 0 C-N-CA 123.819 0.848 . . . . 74.140000000000001 109.661 173.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt 64.05 -167.54 0.21 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.739 1.216 . . . . 74.129999999999995 111.629 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.36 -146.19 40.36 Favored Glycine 0 C--N 1.348 1.218 0 CA-C-O 119.74 -0.478 . . . . 70.439999999999998 112.313 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.24 25.53 71.16 Favored Glycine 0 C--N 1.349 1.273 0 O-C-N 123.721 0.307 . . . . 74.25 113.128 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -87.03 115.78 63.8 Favored Pre-proline 0 N--CA 1.477 0.877 0 C-N-CA 124.007 0.923 . . . . 74.049999999999997 109.245 -177.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -56.16 114.9 2.11 Favored 'Trans proline' 0 C--N 1.375 1.95 0 C-N-CA 122.833 2.355 . . . . 71.200000000000003 111.569 178.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -69.14 115.36 3.97 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.627 2.218 . . . . 74.310000000000002 111.827 -173.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.89 91.95 1.22 Allowed 'General case' 0 C--N 1.35 0.627 0 C-N-CA 123.038 0.535 . . . . 62.130000000000003 109.66 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.4 mt -82.7 12.77 4.35 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.793 0.837 . . . . 54.539999999999999 111.827 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 42.5 pt -74.06 6.59 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.285 0 C-N-CA 124.636 1.174 . . . . 73.129999999999995 111.943 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.2 m -64.48 -15.81 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.567 1.147 . . . . 73.409999999999997 112.838 176.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -152.94 80.87 5.36 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 122.737 0.415 . . . . 64.239999999999995 111.313 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -94.7 7.78 2.16 Favored 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 122.994 2.463 . . . . 61.119999999999997 112.933 171.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tt -115.9 -32.78 5.32 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 122.944 0.498 . . . . 61.530000000000001 110.397 -174.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 24.0 ttt 83.01 -53.08 0.17 Allowed 'General case' 0 N--CA 1.495 1.825 0 C-N-CA 125.802 1.641 . . . . 74.329999999999998 111.684 -176.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? 63.72 174.88 0.17 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.443 1.097 . . . . 75.409999999999997 111.443 -171.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -89.68 68.21 7.55 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.669 0.747 . . . . 74.530000000000001 110.04 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.5 pp -75.36 163.76 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 114.808 -1.087 . . . . 74.319999999999993 111.034 174.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.539 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 48.6 t -69.9 106.13 3.06 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 107.102 -1.444 . . . . 75.299999999999997 107.102 168.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -65.76 -13.64 59.79 Favored 'General case' 0 CA--C 1.564 1.501 0 O-C-N 124.176 0.922 . . . . 74.439999999999998 112.4 -167.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.6 mt -94.56 -25.94 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 C-N-CA 123.407 0.683 . . . . 72.129999999999995 109.908 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 73.7 m -87.66 -57.27 3.01 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.397 0.679 . . . . 72.040000000000006 111.633 -175.055 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 80.23 -38.39 0.16 Allowed 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 125.461 1.504 . . . . 61.509999999999998 111.781 -173.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -51.75 -59.56 4.16 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.23 1.012 . . . . 74.239999999999995 111.259 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.59 38.71 10.36 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-N 115.846 -0.615 . . . . 55.439999999999998 113.288 175.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -97.97 168.66 10.15 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.059 0.543 . . . . 72.129999999999995 109.73 169.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.6 t 56.69 61.88 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 124.561 1.144 . . . . 75.299999999999997 110.146 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -28.54 70.12 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 114.104 -1.407 . . . . 65.530000000000001 112.604 -178.053 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.14 -20.45 63.16 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.188 0.595 . . . . 51.32 112.168 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.2 m -102.19 13.04 35.75 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.982 0.513 . . . . 74.099999999999994 111.023 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 68.1 mtt -85.24 111.51 19.91 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.78 0.432 . . . . 71.319999999999993 110.312 177.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.5 mp -89.28 134.23 34.14 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 108.505 -0.924 . . . . 75.310000000000002 108.505 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.83 118.3 36.52 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 107.368 -1.345 . . . . 63.130000000000003 107.368 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.646 ' HB3' ' HB2' ' A' ' 59' ' ' CYS . 44.1 t -68.1 117.16 9.57 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 109.425 -0.583 . . . . 71.230000000000004 109.425 175.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -58.98 -24.45 62.72 Favored 'General case' 0 CA--C 1.56 1.363 0 O-C-N 124.671 1.232 . . . . 73.129999999999995 112.195 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -118.38 45.87 1.21 Allowed Glycine 0 C--N 1.35 1.321 0 CA-C-N 115.387 -0.824 . . . . 54.229999999999997 113.647 175.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.646 ' HB2' ' HB3' ' A' ' 56' ' ' CYS . 72.8 m -156.04 -176.02 5.74 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 124.384 1.073 . . . . 65.530000000000001 109.782 171.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -116.52 20.14 14.28 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.868 1.267 . . . . 54.539999999999999 108.359 175.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -121.54 149.43 43.12 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 114.943 -1.026 . . . . 70.409999999999997 110.842 -168.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.9 t -114.11 146.66 39.96 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 107.616 -1.253 . . . . 62.149999999999999 107.616 170.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -142.22 140.9 32.46 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 108.466 -0.939 . . . . 71.109999999999999 108.466 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.731 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 41.9 m80 -76.47 160.59 29.37 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.669 0.606 . . . . 73.0 109.932 174.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.466 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 26.1 p -51.93 -48.8 64.07 Favored 'General case' 0 CA--C 1.551 1.01 0 O-C-N 124.558 1.161 . . . . 55.149999999999999 111.552 173.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -81.07 -20.69 41.01 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.618 1.167 . . . . 71.349999999999994 112.993 -174.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 74.5 m -71.19 -14.97 62.44 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 112.561 0.578 . . . . 73.430000000000007 112.561 -178.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.3 mt -113.55 162.31 16.33 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.811 0.844 . . . . 73.209999999999994 110.933 -176.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 pp -121.53 132.69 24.17 Favored Pre-proline 0 CA--C 1.548 0.902 0 N-CA-C 108.847 -0.798 . . . . 72.530000000000001 108.847 173.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -73.29 134.41 35.11 Favored 'Cis proline' 0 C--N 1.376 1.993 0 C-N-CA 124.095 -1.21 . . . . 60.0 112.013 -3.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -60.78 134.71 55.4 Favored 'Trans proline' 0 C--N 1.384 2.4 0 C-N-CA 122.837 2.358 . . . . 42.229999999999997 111.735 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.466 ' O ' ' HB ' ' A' ' 65' ' ' THR . 64.9 mt -88.89 136.1 33.19 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.208 0.603 . . . . 73.420000000000002 110.188 -173.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.5 p -76.8 -15.86 59.62 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.55 0.74 . . . . 75.319999999999993 112.083 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 63.1 m -156.4 172.39 18.59 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.355 1.062 . . . . 74.310000000000002 109.227 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 79.1 mt -85.46 109.5 22.14 Favored Pre-proline 0 CA--C 1.545 0.766 0 N-CA-C 107.017 -1.475 . . . . 70.129999999999995 107.017 172.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -69.69 99.3 0.73 Allowed 'Trans proline' 0 C--N 1.369 1.622 0 C-N-CA 122.767 2.311 . . . . 64.019999999999996 111.373 -177.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt 73.54 -71.3 0.14 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.088 1.355 . . . . 71.510000000000005 111.651 175.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 154.97 -45.79 0.54 Allowed Glycine 0 C--N 1.343 0.968 0 N-CA-C 110.349 -1.1 . . . . 72.230000000000004 110.349 -175.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.28 79.69 2.38 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.596 0.758 . . . . 71.340000000000003 109.624 172.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -103.95 138.53 40.37 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 108.489 -0.93 . . . . 52.119999999999997 108.489 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.542 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 86.1 mt -112.7 144.53 42.06 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.052 0.941 . . . . 70.409999999999997 109.347 174.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 29.2 p -66.07 157.72 79.52 Favored Pre-proline 0 CA--C 1.55 0.957 0 C-N-CA 123.25 0.62 . . . . 61.219999999999999 110.308 175.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.449 ' O ' HG23 ' A' ' 87' ' ' VAL . 11.6 Cg_endo -53.72 -27.31 42.05 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.742 2.295 . . . . 63.119999999999997 112.744 176.245 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.6 mtt-85 -71.41 -40.19 70.63 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.036 0.935 . . . . 71.430000000000007 110.367 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.542 ' HB2' ' HB3' ' A' ' 81' ' ' LEU . 94.3 m -66.84 -30.49 70.69 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.099 0.56 . . . . 71.019999999999996 111.811 176.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.82 -38.35 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 C-N-CA 123.548 0.739 . . . . 74.310000000000002 110.543 175.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 83' ' ' PRO . 73.5 t -77.3 -17.7 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 123.043 0.537 . . . . 72.219999999999999 111.69 -178.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.506 ' HG2' ' HA ' ' A' ' 85' ' ' CYS . 62.7 mm-40 -48.47 130.0 16.44 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.751 0.82 . . . . 71.140000000000001 112.5 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -69.13 -57.04 5.92 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 124.055 0.847 . . . . 72.25 108.73 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.9 t -95.46 103.92 15.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.669 0 N-CA-C 109.05 -0.722 . . . . 73.340000000000003 109.05 175.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.6 m -78.83 -46.71 18.1 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.528 0.731 . . . . 72.530000000000001 109.718 174.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -139.9 113.23 7.65 Favored Pre-proline 0 CA--C 1.551 1.004 0 C-N-CA 124.19 0.996 . . . . 72.310000000000002 108.838 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.79 122.99 12.73 Favored 'Trans proline' 0 C--N 1.378 2.131 0 C-N-CA 123.917 3.078 . . . . 71.420000000000002 112.786 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 . . . . . 0 C--O 1.251 1.184 0 C-N-CA 123.986 0.915 . . . . 71.209999999999994 108.601 177.059 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.659 'ZN ' ' SG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 65.9 p . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 110.569 -0.16 . . . . 74.329999999999998 110.569 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -137.08 97.86 3.6 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.525 -0.917 . . . . 64.540000000000006 108.525 176.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -118.73 39.06 3.59 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.023 0.929 . . . . 65.030000000000001 109.813 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.2 t -72.9 -22.05 60.81 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.029 0.931 . . . . 72.129999999999995 111.591 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.36 51.96 4.0 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 116.389 -0.369 . . . . 70.010000000000005 112.461 178.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.85 -23.04 78.55 Favored Glycine 0 C--N 1.352 1.467 0 C-N-CA 122.893 0.282 . . . . 72.129999999999995 112.764 -178.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.7 m -151.06 90.61 4.1 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 124.134 0.974 . . . . 74.439999999999998 108.376 171.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -69.33 116.07 4.34 Favored 'Trans proline' 0 C--N 1.368 1.558 0 C-N-CA 122.269 1.98 . . . . 72.450000000000003 111.796 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 mp -70.74 135.31 48.15 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 108.792 -0.818 . . . . 75.340000000000003 108.792 173.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.49 114.36 5.41 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.169 0.988 . . . . 72.519999999999996 110.338 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 48.9 p -64.61 92.93 0.1 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.181 0.993 . . . . 71.209999999999994 110.864 -176.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.55 -33.74 4.83 Favored Glycine 0 C--N 1.346 1.129 0 CA-C-N 115.416 -0.811 . . . . 71.409999999999997 112.69 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.3 m 68.89 -76.24 0.06 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.242 1.417 . . . . 70.209999999999994 110.856 -176.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -159.67 142.01 13.53 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.169 0.987 . . . . 55.219999999999999 108.694 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.98 83.54 5.87 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 123.127 0.571 . . . . 74.310000000000002 111.061 -175.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -84.67 139.93 31.68 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.543 0.737 . . . . 74.409999999999997 110.008 -178.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.2 p -132.05 163.43 28.47 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.801 0.84 . . . . 61.049999999999997 110.901 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -127.42 115.61 19.2 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 106.88 -1.526 . . . . 74.299999999999997 106.88 167.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.89 82.4 0.32 Allowed Glycine 0 CA--C 1.528 0.862 0 O-C-N 123.534 0.521 . . . . 14.51 112.637 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.13 72.5 1.0 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.833 0.853 . . . . 51.020000000000003 110.082 -176.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.0 m -82.64 -27.93 31.05 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.524 -0.762 . . . . 63.119999999999997 109.792 173.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 63.64 179.05 0.16 Allowed 'General case' 0 C--N 1.358 0.968 0 C-N-CA 125.423 1.489 . . . . 71.340000000000003 112.229 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.61 -47.11 0.97 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 107.339 -1.356 . . . . 55.329999999999998 107.339 177.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 92.9 mttt 66.91 -175.6 0.19 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.801 1.241 . . . . 73.409999999999997 112.627 176.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -147.57 24.41 1.51 Allowed Glycine 0 C--N 1.342 0.884 0 CA-C-O 119.737 -0.479 . . . . 52.399999999999999 112.799 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.19 58.35 8.98 Favored Glycine 0 C--N 1.349 1.253 0 N-CA-C 112.366 -0.293 . . . . 32.100000000000001 112.366 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.45 100.65 11.04 Favored Pre-proline 0 CA--C 1.556 1.177 0 C-N-CA 124.064 0.946 . . . . 73.010000000000005 109.534 -174.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -89.22 129.16 1.92 Allowed 'Trans proline' 0 C--N 1.382 2.32 0 C-N-CA 123.061 2.507 . . . . 65.099999999999994 113.058 -175.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -77.18 144.19 23.24 Favored 'Trans proline' 0 C--N 1.371 1.724 0 C-N-CA 122.646 2.231 . . . . 63.039999999999999 111.132 174.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.18 87.26 2.61 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.258 0.623 . . . . 45.030000000000001 110.151 -175.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.51 98.66 0.51 Allowed 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 107.791 -1.188 . . . . 75.329999999999998 107.791 171.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.0 mt -79.33 130.8 35.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 123.526 0.73 . . . . 71.010000000000005 109.419 176.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.1 m -104.19 93.33 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.014 0.926 . . . . 60.539999999999999 109.439 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -166.48 110.21 0.69 Allowed Pre-proline 0 N--CA 1.47 0.575 0 C-N-CA 123.963 0.905 . . . . 50.149999999999999 109.264 175.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -95.28 20.08 0.59 Allowed 'Trans proline' 0 C--N 1.366 1.467 0 C-N-CA 123.12 2.547 . . . . 74.219999999999999 111.912 172.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.0 mt 59.56 79.79 0.22 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 124.505 1.122 . . . . 63.130000000000003 110.538 -171.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.65 -57.1 14.5 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 115.544 -0.753 . . . . 75.299999999999997 109.832 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -77.63 131.95 38.02 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.544 -0.753 . . . . 74.120000000000005 109.558 175.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -70.95 85.88 0.7 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.66 1.184 . . . . 65.109999999999999 108.437 173.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.8 mt -68.32 118.06 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 109.042 -0.725 . . . . 71.299999999999997 109.042 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.473 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 41.5 t -63.65 112.04 2.65 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 108.371 -0.974 . . . . 54.310000000000002 108.371 175.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -53.31 -26.37 18.44 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.114 1.366 . . . . 64.510000000000005 112.909 -169.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.474 ' HB ' ' HB3' ' A' ' 67' ' ' CYS . 55.2 mt -92.82 -38.2 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 C-N-CA 123.509 0.723 . . . . 71.310000000000002 111.769 -174.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.837 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 31.5 p -115.56 0.41 13.3 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 112.697 0.629 . . . . 73.040000000000006 112.697 -170.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 61.18 10.1 2.8 Favored 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 125.575 1.55 . . . . 73.310000000000002 114.048 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -91.69 121.83 33.7 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.92 0.488 . . . . 75.299999999999997 111.653 -177.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.22 10.39 75.04 Favored Glycine 0 N--CA 1.475 1.242 0 N-CA-C 111.546 -0.622 . . . . 63.240000000000002 111.546 171.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -110.28 171.59 7.37 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.761 1.624 . . . . 51.450000000000003 108.13 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.5 t 60.93 43.33 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 CA-C-O 122.941 1.353 . . . . 71.140000000000001 109.176 -172.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.64 -23.27 67.31 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 114.094 -1.412 . . . . 71.239999999999995 111.996 -176.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.1 -37.77 86.33 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.357 0.663 . . . . 64.450000000000003 111.049 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -93.88 4.22 54.25 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.876 0.471 . . . . 52.030000000000001 110.31 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 44.0 ttm -94.93 114.98 26.89 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 123.373 0.669 . . . . 73.439999999999998 109.919 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mp -93.58 136.55 33.74 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 124.729 1.212 . . . . 74.450000000000003 107.981 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.406 HD13 ' N ' ' A' ' 56' ' ' CYS . 1.4 tm? -122.35 145.91 47.82 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 107.415 -1.328 . . . . 65.540000000000006 107.415 -177.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.406 ' N ' HD13 ' A' ' 55' ' ' LEU . 1.6 t -82.04 138.97 34.74 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.099 0.56 . . . . 70.150000000000006 110.88 -174.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -73.04 -27.6 61.85 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 121.209 0.528 . . . . 74.140000000000001 110.233 169.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -130.97 107.22 0.73 Allowed Glycine 0 C--N 1.347 1.169 0 CA-C-O 118.764 -1.02 . . . . 54.310000000000002 110.604 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 84' ' ' ARG . 18.4 p 84.39 104.4 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 C-N-CA 127.682 2.393 . . . . 74.450000000000003 108.735 173.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -73.42 121.35 20.36 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.51 1.124 . . . . 75.340000000000003 111.4 -164.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -155.06 126.67 7.42 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 107.374 -1.343 . . . . 72.319999999999993 107.374 171.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.9 m -91.99 123.19 35.17 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.359 0.663 . . . . 65.219999999999999 110.052 -178.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -130.25 142.36 50.56 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.614 0.766 . . . . 62.140000000000001 109.187 176.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.706 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 35.1 m80 -88.45 158.24 18.42 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 109.164 -0.68 . . . . 75.439999999999998 109.164 165.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.48 HG21 HG12 ' A' ' 75' ' ' ILE . 26.4 p -55.37 -53.66 53.47 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 124.241 0.963 . . . . 64.230000000000004 110.559 172.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.638 ' HA ' ' HB3' ' A' ' 71' ' ' PRO . 50.4 p90 -73.53 -22.66 60.05 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 114.773 -1.103 . . . . 65.5 112.684 -176.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.706 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 95.0 m -73.27 -31.58 64.16 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.062 0.545 . . . . 45.009999999999998 111.623 177.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.64 149.62 47.9 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.69 0.396 . . . . 63.149999999999999 109.991 175.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.3 mt -125.63 117.0 24.68 Favored Pre-proline 0 N--CA 1.479 1.002 0 N-CA-C 108.7 -0.852 . . . . 61.450000000000003 108.7 175.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 15.5 Cg_exo -70.19 141.09 65.6 Favored 'Cis proline' 0 C--N 1.382 2.306 0 CA-C-N 120.283 1.137 . . . . 72.219999999999999 113.106 -1.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.638 ' HB3' ' HA ' ' A' ' 66' ' ' PHE . 38.6 Cg_exo -59.7 137.48 77.32 Favored 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 123.45 2.767 . . . . 61.409999999999997 112.956 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.0 mt -81.6 88.26 6.22 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.335 0.654 . . . . 73.549999999999997 109.596 -177.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.3 p -65.08 -41.9 94.61 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 121.899 0.857 . . . . 73.319999999999993 109.035 172.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.5 m -89.09 115.47 26.65 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 114.029 -1.442 . . . . 71.120000000000005 108.261 167.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.48 HG12 HG21 ' A' ' 65' ' ' THR . 28.6 mt -84.46 124.84 73.07 Favored Pre-proline 0 CA--C 1.547 0.846 0 N-CA-C 108.717 -0.845 . . . . 72.129999999999995 108.717 178.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.71 81.15 0.46 Allowed 'Trans proline' 0 C--N 1.369 1.658 0 C-N-CA 122.551 2.167 . . . . 63.329999999999998 111.435 172.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.16 118.58 7.01 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 125.227 1.411 . . . . 63.299999999999997 109.168 177.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 123.68 -77.37 0.36 Allowed Glycine 0 C--O 1.241 0.584 0 O-C-N 123.633 0.583 . . . . 65.049999999999997 112.241 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -139.94 136.97 34.38 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.356 0.662 . . . . 73.200000000000003 109.94 -175.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -150.13 144.41 25.68 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 108.063 -1.088 . . . . 72.030000000000001 108.063 173.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.2 mt -119.58 138.1 53.43 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.559 0.744 . . . . 71.430000000000007 109.891 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 23.1 p -64.68 156.91 76.67 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 124.534 1.134 . . . . 33.140000000000001 111.861 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -46.85 -31.1 10.39 Favored 'Trans proline' 0 C--N 1.375 1.963 0 C-N-CA 123.752 2.968 . . . . 72.439999999999998 114.626 173.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.469 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 22.5 tpp180 -57.18 -43.46 82.67 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.133 0.973 . . . . 74.340000000000003 111.404 175.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.0 m -69.18 -36.35 77.24 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.154 0.581 . . . . 72.329999999999998 111.334 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 52.1 t -63.34 -28.03 44.24 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 115.195 -0.911 . . . . 70.239999999999995 110.595 -177.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.5 t -60.55 -37.94 76.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 123.503 0.721 . . . . 63.310000000000002 110.659 172.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -81.46 -16.64 51.37 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.455 0.702 . . . . 65.420000000000002 112.787 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -103.61 154.62 19.3 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.441 0.696 . . . . 64.0 111.191 -176.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 t 54.84 29.97 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 C-N-CA 125.051 1.341 . . . . 61.439999999999998 111.54 173.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.8 m -89.65 58.31 4.25 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.509 0.724 . . . . 62.240000000000002 111.888 -172.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -150.74 107.27 3.07 Favored Pre-proline 0 CA--C 1.55 0.97 0 N-CA-C 108.511 -0.922 . . . . 62.039999999999999 108.511 172.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -88.96 11.53 2.98 Favored 'Trans proline' 0 C--N 1.373 1.867 0 C-N-CA 122.863 2.375 . . . . 72.340000000000003 112.92 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 . . . . . 0 C--O 1.248 1.002 0 C-N-CA 124.022 0.929 . . . . 74.120000000000005 109.903 -179.458 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.837 'ZN ' ' HG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 110.024 -0.362 . . . . 74.450000000000003 110.024 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -89.1 125.2 34.93 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.402 -0.962 . . . . 63.240000000000002 108.402 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.7 ttt -71.55 86.75 0.89 Allowed 'General case' 0 C--O 1.243 0.735 0 N-CA-C 109.089 -0.708 . . . . 75.340000000000003 109.089 177.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.4 m -80.82 78.71 7.58 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 108.341 -0.985 . . . . 61.310000000000002 108.341 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -80.47 -43.36 9.4 Favored Glycine 0 C--N 1.343 0.966 0 CA-C-N 115.385 -0.825 . . . . 70.120000000000005 111.284 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.58 -152.85 49.83 Favored Glycine 0 C--N 1.357 1.697 0 O-C-N 124.074 0.514 . . . . 72.230000000000004 112.632 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 75.6 m -157.08 150.52 18.94 Favored Pre-proline 0 N--CA 1.477 0.882 0 C-N-CA 124.2 1.0 . . . . 74.230000000000004 110.106 177.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -66.21 72.14 0.39 Allowed 'Trans proline' 0 C--N 1.377 2.064 0 C-N-CA 122.862 2.375 . . . . 73.010000000000005 111.661 166.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -71.75 -13.64 61.77 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.759 0.824 . . . . 75.319999999999993 111.98 -173.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.42 29.7 0.43 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.147 0.979 . . . . 62.200000000000003 112.268 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.5 m -92.99 62.77 3.66 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-O 122.008 0.909 . . . . 64.409999999999997 109.348 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.38 76.5 2.03 Favored Glycine 0 C--N 1.343 0.929 0 N-CA-C 109.112 -1.595 . . . . 62.439999999999998 109.112 174.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -62.89 91.67 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.099 0.96 . . . . 61.43 112.151 -169.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.1 p -91.05 112.09 23.83 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 115.27 -0.877 . . . . 71.319999999999993 108.773 171.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.34 86.33 1.48 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.144 0.578 . . . . 73.510000000000005 109.545 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -78.4 73.0 4.96 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.957 0.903 . . . . 65.209999999999994 109.129 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.3 m -80.74 95.87 6.76 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.421 -0.809 . . . . 64.049999999999997 110.662 -175.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -99.1 75.36 2.03 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 106.751 -1.574 . . . . 73.099999999999994 106.751 172.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.06 84.36 0.7 Allowed Glycine 0 C--N 1.347 1.179 0 CA-C-N 115.619 -0.719 . . . . 74.230000000000004 112.876 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.77 85.6 7.27 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 108.924 -0.769 . . . . 63.439999999999998 108.924 174.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.0 t -93.76 102.08 14.21 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 123.703 0.801 . . . . 63.25 110.143 -173.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -76.86 143.62 39.56 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 108.645 -0.872 . . . . 73.209999999999994 108.645 173.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -70.05 -63.73 1.02 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 122.59 0.356 . . . . 64.519999999999996 111.069 -173.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -88.8 139.6 30.29 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 122.846 0.458 . . . . 71.430000000000007 110.155 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -145.1 -37.74 0.06 OUTLIER Glycine 0 C--N 1.34 0.762 0 CA-C-N 115.717 -0.674 . . . . 62.399999999999999 111.49 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.87 79.0 1.17 Allowed Glycine 0 C--N 1.344 1.025 0 O-C-N 123.899 0.411 . . . . 61.109999999999999 112.336 175.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.64 140.32 84.14 Favored Pre-proline 0 CA--C 1.558 1.271 0 C-N-CA 123.967 0.907 . . . . 73.5 110.414 176.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -68.39 132.37 25.48 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 122.588 2.192 . . . . 52.439999999999998 112.316 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -62.5 131.24 32.91 Favored 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 122.166 1.911 . . . . 71.540000000000006 112.127 175.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.42 132.3 41.83 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.915 0.486 . . . . 63.32 110.822 178.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.0 tp -74.45 148.25 41.25 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.129 -0.693 . . . . 73.329999999999998 109.129 174.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -71.61 91.18 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 N-CA-C 108.504 -0.924 . . . . 74.409999999999997 108.504 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 60.0 t -95.82 97.72 6.96 Favored 'Isoleucine or valine' 0 C--N 1.346 0.451 0 C-N-CA 124.249 1.02 . . . . 73.219999999999999 108.714 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -126.76 90.4 49.77 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 108.819 -0.808 . . . . 72.530000000000001 108.819 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -68.3 -22.85 39.31 Favored 'Trans proline' 0 C--N 1.371 1.752 0 C-N-CA 122.628 2.218 . . . . 72.540000000000006 111.929 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.1 mt -76.69 -1.2 26.65 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.023 -0.99 . . . . 74.230000000000004 112.235 -174.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 20.9 ptp -56.01 -31.31 62.96 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.356 0.598 . . . . 73.329999999999998 111.133 168.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.453 ' HG3' HG12 ' A' ' 40' ' ' ILE . 55.3 tptt -75.11 104.33 5.65 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 107.559 -1.275 . . . . 61.439999999999998 107.559 166.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -52.29 -72.06 0.06 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.503 1.121 . . . . 74.340000000000003 113.15 -174.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.453 HG12 ' HG3' ' A' ' 38' ' ' LYS . 24.3 mm 65.58 149.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 124.605 1.191 . . . . 61.140000000000001 111.885 -176.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.466 ' HG ' ' HG ' ' A' ' 44' ' ' CYS . 49.8 t -65.29 114.72 4.94 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 108.824 -0.806 . . . . 50.310000000000002 108.824 172.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.507 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 50.6 t-80 -70.13 -3.48 16.9 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.075 0.95 . . . . 70.530000000000001 112.857 -172.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.437 HD12 ' HB3' ' A' ' 67' ' ' CYS . 70.2 mt -107.97 -38.82 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 122.997 0.519 . . . . 55.240000000000002 110.429 174.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.679 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 84.2 m -82.92 -41.57 18.72 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.743 0.417 . . . . 41.240000000000002 111.703 -173.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.6 t30 77.16 -36.58 0.25 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.703 1.601 . . . . 74.099999999999994 112.287 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -79.76 -45.25 19.2 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.237 0.615 . . . . 75.219999999999999 111.002 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.65 -73.44 0.48 Allowed Glycine 0 C--N 1.351 1.368 0 N-CA-C 111.583 -0.607 . . . . 74.030000000000001 111.583 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.6 t70 61.22 -82.62 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 124.457 1.103 . . . . 64.329999999999998 112.345 172.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.4 t -84.41 90.39 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 123.183 0.593 . . . . 63.409999999999997 109.561 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -71.01 -26.61 63.19 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.765 0.826 . . . . 71.25 111.234 175.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.29 -34.7 70.84 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.408 1.083 . . . . 74.030000000000001 112.747 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.5 m -102.91 14.32 32.23 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.568 0.347 . . . . 73.120000000000005 111.601 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 51.9 ttm -85.61 103.95 14.91 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.72 -0.845 . . . . 55.450000000000003 108.72 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.0 mt -83.96 150.58 25.56 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.588 1.155 . . . . 62.329999999999998 109.657 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -113.73 119.06 36.11 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 108.874 -0.788 . . . . 71.430000000000007 108.874 -175.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.4 t -78.95 91.05 4.78 Favored 'General case' 0 C--O 1.245 0.82 0 N-CA-C 108.808 -0.812 . . . . 72.519999999999996 108.808 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.98 96.09 3.11 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.561 0.745 . . . . 73.430000000000007 110.294 -176.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 156.81 -47.76 0.47 Allowed Glycine 0 CA--C 1.505 -0.546 0 N-CA-C 110.701 -0.959 . . . . 71.25 110.701 173.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.2 p -111.69 -6.07 14.39 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.303 0.641 . . . . 65.450000000000003 111.888 -173.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.8 t70 71.37 81.05 0.15 Allowed 'General case' 0 C--N 1.36 1.046 0 C-N-CA 123.981 0.913 . . . . 74.409999999999997 110.568 174.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -141.09 165.12 28.41 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 109.32 -0.622 . . . . 74.340000000000003 109.32 175.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 71.6 m -144.99 125.97 14.5 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.777 -0.647 . . . . 31.23 109.972 172.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.507 ' CE1' ' HB3' ' A' ' 42' ' ' HIS . 97.7 m-85 -141.89 146.43 35.75 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.88 0.872 . . . . 74.340000000000003 109.436 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.688 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 28.9 m80 -77.8 161.19 27.85 Favored 'General case' 0 C--O 1.248 1.003 0 N-CA-C 109.102 -0.703 . . . . 61.32 109.102 169.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.64 HG21 HG12 ' A' ' 75' ' ' ILE . 34.5 p -62.46 -42.93 99.82 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.392 -0.822 . . . . 52.329999999999998 110.119 171.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -90.32 50.81 1.9 Allowed 'General case' 0 CA--C 1.558 1.273 0 CA-C-N 115.058 -0.973 . . . . 74.140000000000001 110.836 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.688 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 83.3 m -134.68 -54.66 0.83 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.679 1.192 . . . . 54.119999999999997 108.561 175.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.8 mt -71.44 105.92 3.74 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 114.4 -1.273 . . . . 63.109999999999999 110.499 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.98 136.69 69.62 Favored Pre-proline 0 CA--C 1.552 1.037 0 C-N-CA 123.052 0.541 . . . . 70.010000000000005 110.834 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -69.48 132.2 21.18 Favored 'Cis proline' 0 C--N 1.383 2.376 0 CA-C-N 119.84 0.979 . . . . 63.420000000000002 111.685 -3.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -51.88 122.05 9.78 Favored 'Trans proline' 0 C--N 1.39 2.719 0 C-N-CA 123.423 2.748 . . . . 51.140000000000001 112.262 -171.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.3 mt -62.61 96.69 0.09 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.285 1.034 . . . . 73.430000000000007 109.814 -177.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.0 m -62.31 -33.38 74.57 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.858 0.863 . . . . 55.420000000000002 111.022 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.6 p -98.84 123.23 42.96 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 123.473 0.709 . . . . 62.100000000000001 109.443 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.64 HG12 HG21 ' A' ' 65' ' ' THR . 25.5 mt -91.61 113.21 57.93 Favored Pre-proline 0 N--CA 1.474 0.746 0 C-N-CA 124.55 1.14 . . . . 65.129999999999995 109.413 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.95 129.31 19.35 Favored 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 122.712 2.275 . . . . 72.150000000000006 112.896 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -78.62 -39.02 38.39 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 108.733 -0.84 . . . . 60.350000000000001 108.733 173.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.83 -178.79 34.78 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 114.874 -1.057 . . . . 53.350000000000001 112.781 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -65.18 142.05 58.46 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.439 0.695 . . . . 74.120000000000005 110.582 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -134.6 144.29 47.82 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.408 0.683 . . . . 62.039999999999999 110.572 -171.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.3 mt -127.13 143.59 51.23 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 124.565 1.146 . . . . 62.240000000000002 109.392 171.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.4 p -71.45 142.66 86.85 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 123.527 0.731 . . . . 72.109999999999999 110.861 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -47.65 -29.46 10.84 Favored 'Trans proline' 0 C--N 1.384 2.406 0 C-N-CA 123.71 2.94 . . . . 74.299999999999997 113.888 174.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -49.1 -60.39 2.83 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.549 1.14 . . . . 64.519999999999996 111.14 173.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.1 m -80.8 -24.17 38.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.205 -0.907 . . . . 51.32 111.654 -170.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.01 -30.82 48.4 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.079 0 CA-C-O 121.254 0.55 . . . . 73.129999999999995 109.908 172.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 67.0 t -87.32 -45.77 16.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 C-N-CA 123.418 0.687 . . . . 75.140000000000001 110.967 174.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -76.01 -12.86 60.21 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 114.528 1.307 . . . . 74.129999999999995 114.528 -168.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.89 -15.02 58.18 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-N 118.638 0.654 . . . . 64.400000000000006 111.412 174.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 44.3 t -117.56 142.1 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.454 0.701 . . . . 74.099999999999994 109.611 177.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.1 p -139.69 102.45 4.44 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 108.845 -0.798 . . . . 74.530000000000001 108.845 174.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 67.96 167.58 0.12 Allowed Pre-proline 0 N--CA 1.492 1.63 0 C-N-CA 124.958 1.303 . . . . 75.319999999999993 111.263 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -42.83 104.42 0.05 OUTLIER 'Trans proline' 0 C--N 1.386 2.536 0 C-N-CA 123.081 2.521 . . . . 75.310000000000002 113.043 166.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 . . . . . 0 CA--C 1.549 0.919 0 C-N-CA 124.672 1.189 . . . . 71.400000000000006 109.925 -171.793 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.679 'ZN ' ' SG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.6 m . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 110.2 -0.296 . . . . 63.229999999999997 110.2 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -158.06 177.19 11.59 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.735 0.814 . . . . 73.219999999999999 109.817 -177.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -69.52 105.2 2.56 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.568 -0.901 . . . . 74.409999999999997 108.568 172.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.3 t -136.8 159.11 42.82 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 123.268 0.627 . . . . 73.450000000000003 110.025 -173.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.66 -20.59 76.32 Favored Glycine 0 C--N 1.344 1.012 0 CA-C-N 115.632 -0.713 . . . . 74.209999999999994 111.673 172.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.05 -71.32 2.92 Favored Glycine 0 C--N 1.348 1.236 0 N-CA-C 111.56 -0.616 . . . . 70.329999999999998 111.56 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 63.1 m -149.85 143.23 16.49 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 124.065 0.946 . . . . 70.349999999999994 108.823 175.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -81.44 179.39 5.84 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 122.864 2.376 . . . . 63.420000000000002 112.011 174.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.8 mt -73.47 127.07 31.7 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.852 0.461 . . . . 74.219999999999999 109.892 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.54 78.98 3.23 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.182 0.593 . . . . 74.439999999999998 109.617 177.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -79.92 165.26 22.82 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.755 0.822 . . . . 72.349999999999994 111.462 -174.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.84 76.05 0.22 Allowed Glycine 0 C--N 1.337 0.617 0 N-CA-C 110.244 -1.142 . . . . 55.32 110.244 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.9 m -125.7 105.04 8.7 Favored 'General case' 0 C--O 1.24 0.603 0 C-N-CA 123.703 0.801 . . . . 73.329999999999998 110.224 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 97.5 m -141.85 143.09 33.19 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.912 1.285 . . . . 71.310000000000002 107.906 176.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.9 128.25 35.3 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 123.268 0.627 . . . . 71.329999999999998 109.895 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -62.53 97.46 0.1 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.489 1.116 . . . . 74.140000000000001 109.988 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.7 p -77.64 81.82 4.07 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.122 0.969 . . . . 72.319999999999993 111.538 -174.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -138.29 90.63 2.49 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.132 0.973 . . . . 64.140000000000001 109.239 177.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.56 145.01 17.56 Favored Glycine 0 C--N 1.351 1.385 0 CA-C-N 116.297 -0.41 . . . . 71.109999999999999 112.367 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.91 99.27 8.28 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.553 0.741 . . . . 70.209999999999994 111.701 -173.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.3 p -86.91 156.12 19.95 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.247 0.619 . . . . 74.439999999999998 110.161 172.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -124.14 -67.06 0.95 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.173 0.589 . . . . 75.019999999999996 110.294 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.512 ' HG3' ' H ' ' A' ' 24' ' ' LYS . 17.9 tptm 58.93 -173.66 0.1 Allowed 'General case' 0 CA--C 1.566 1.561 0 C-N-CA 124.442 1.097 . . . . 75.329999999999998 109.851 -172.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.512 ' H ' ' HG3' ' A' ' 23' ' ' LYS . 51.8 tptt 69.21 169.49 0.29 Allowed 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 124.045 0.938 . . . . 65.420000000000002 110.358 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.75 20.27 61.88 Favored Glycine 0 N--CA 1.472 1.073 0 O-C-N 121.776 -0.577 . . . . 53.020000000000003 112.885 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.24 44.94 3.23 Favored Glycine 0 C--N 1.344 1.028 0 C-N-CA 123.26 0.457 . . . . 74.299999999999997 112.601 -177.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -112.73 98.06 43.35 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 124.199 1.0 . . . . 65.040000000000006 108.731 176.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -69.42 163.45 37.96 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 123.313 2.675 . . . . 64.450000000000003 112.351 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -64.94 76.08 0.21 Allowed 'Trans proline' 0 C--N 1.384 2.412 0 C-N-CA 123.262 2.641 . . . . 74.510000000000005 111.887 177.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -164.35 6.66 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.667 1.187 . . . . 71.420000000000002 110.1 -173.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.8 tp -81.25 101.44 9.74 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 108.546 -0.909 . . . . 73.329999999999998 108.546 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 54.3 mt -70.48 93.01 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-O 121.548 0.69 . . . . 74.450000000000003 111.059 -175.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.3 t -72.28 151.33 8.28 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 107.394 -1.335 . . . . 61.439999999999998 107.394 164.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.62 ' HB3' ' HB2' ' A' ' 37' ' ' MET . 5.7 m-20 -46.49 105.2 0.45 Allowed Pre-proline 0 N--CA 1.488 1.471 0 C-N-CA 123.911 0.884 . . . . 51.200000000000003 111.223 -175.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.66 -57.67 0.79 Allowed 'Trans proline' 0 C--N 1.385 2.449 0 C-N-CA 123.544 2.829 . . . . 52.140000000000001 112.702 -170.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.4 mt -98.62 -65.83 0.94 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.662 -0.699 . . . . 62.43 109.162 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.62 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 25.2 ttt 44.22 83.19 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.961 1.304 . . . . 60.340000000000003 111.318 -173.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.1 tttm -127.45 2.65 6.26 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 108.701 -0.852 . . . . 74.120000000000005 108.701 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 61.1 69.46 0.67 Allowed 'General case' 0 C--N 1.36 1.032 0 C-N-CA 124.255 1.022 . . . . 75.109999999999999 108.933 -169.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.3 mt -94.97 155.96 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 113.922 -1.49 . . . . 71.319999999999993 110.926 -171.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.741 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 46.1 t -65.76 107.76 1.89 Allowed 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 108.925 -0.768 . . . . 64.439999999999998 108.925 173.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -71.99 2.63 5.37 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 125.332 1.453 . . . . 72.329999999999998 111.907 -171.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.9 mt -116.15 -32.07 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 C-N-CA 123.504 0.722 . . . . 41.539999999999999 110.201 174.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.891 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 91.7 m -82.78 -20.02 36.62 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 118.82 -0.61 . . . . 72.400000000000006 111.508 -178.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 76.9 -40.34 0.36 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 125.074 1.35 . . . . 64.230000000000004 112.065 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -104.71 165.33 11.14 Favored 'General case' 0 C--O 1.246 0.88 0 C-N-CA 124.024 0.93 . . . . 71.120000000000005 110.51 173.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.62 -41.62 99.04 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 115.168 -0.924 . . . . 70.239999999999995 112.625 176.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.9 t70 62.02 -88.81 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.077 1.351 . . . . 72.409999999999997 111.367 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.8 t -115.22 99.86 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 123.478 0.711 . . . . 51.100000000000001 109.319 175.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -67.73 -25.38 65.62 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.257 0.623 . . . . 74.310000000000002 111.845 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -64.64 -29.5 70.51 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.331 1.052 . . . . 72.329999999999998 112.646 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.3 m -111.15 13.13 21.87 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.207 0.603 . . . . 54.219999999999999 111.256 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 48.2 ttm -81.32 106.98 13.72 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 123.161 0.584 . . . . 74.430000000000007 109.778 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 53.3 mt -85.25 141.21 30.27 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 125.013 1.325 . . . . 73.430000000000007 109.341 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -116.18 120.96 40.68 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.573 0.749 . . . . 72.349999999999994 109.439 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.627 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 41.8 t -72.99 114.83 11.58 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 108.643 -0.873 . . . . 43.310000000000002 108.643 176.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -53.32 -43.1 67.36 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 124.354 1.034 . . . . 73.430000000000007 110.832 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.488 ' O ' ' SG ' ' A' ' 59' ' ' CYS . . . -99.31 43.22 1.86 Allowed Glycine 0 C--N 1.344 1.0 0 CA-C-N 115.744 -0.662 . . . . 70.109999999999999 113.467 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.802 ' HG ' 'ZN ' ' A' ' 102' ' ' ' ZN' . 90.3 m -162.32 -176.42 5.08 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.461 0.705 . . . . 70.400000000000006 110.773 172.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -100.64 -22.39 14.95 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.249 1.42 . . . . 65.450000000000003 109.445 171.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.19 148.27 48.84 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 125.048 1.339 . . . . 71.109999999999999 111.756 -175.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.6 m -130.64 146.82 52.22 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 114.399 -1.273 . . . . 73.310000000000002 107.759 170.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.433 ' HD2' ' HH2' ' A' ' 80' ' ' TRP . 99.0 m-85 -139.45 158.65 43.77 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.021 0.928 . . . . 75.409999999999997 108.512 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.814 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 38.3 m80 -86.68 166.65 15.17 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 108.758 -0.83 . . . . 70.439999999999998 108.758 167.278 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.653 HG21 HD13 ' A' ' 75' ' ' ILE . 10.1 p -62.16 -43.39 98.94 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.477 -0.783 . . . . 70.409999999999997 109.936 169.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -91.48 40.59 1.04 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.163 0.985 . . . . 72.329999999999998 112.43 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.814 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 88.0 m -126.55 -50.75 1.5 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.36 0.664 . . . . 72.230000000000004 110.267 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.554 HD11 ' HZ2' ' A' ' 80' ' ' TRP . 97.0 mt -61.48 153.32 27.6 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.487 -0.779 . . . . 64.019999999999996 111.487 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mp -111.24 115.65 52.12 Favored Pre-proline 0 CA--C 1.548 0.878 0 N-CA-C 107.909 -1.145 . . . . 74.230000000000004 107.909 174.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -79.43 147.35 78.8 Favored 'Cis proline' 0 C--N 1.383 2.389 0 CA-C-N 120.114 1.076 . . . . 64.010000000000005 112.895 2.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.55 123.91 11.0 Favored 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 122.326 2.017 . . . . 72.329999999999998 111.684 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.456 ' O ' ' HB ' ' A' ' 65' ' ' THR . 45.0 mt -66.31 108.79 2.44 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.735 0.814 . . . . 65.129999999999995 109.051 178.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.4 p -85.0 6.65 24.29 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.99 0.916 . . . . 65.099999999999994 111.288 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.6 m -140.27 140.87 35.83 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 124.399 1.079 . . . . 55.409999999999997 109.133 172.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.653 HD13 HG21 ' A' ' 65' ' ' THR . 29.3 mm -74.3 118.71 71.92 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 123.715 0.806 . . . . 74.140000000000001 110.088 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.57 108.66 1.26 Allowed 'Trans proline' 0 C--N 1.378 2.13 0 C-N-CA 122.686 2.258 . . . . 71.319999999999993 110.951 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -93.15 107.99 19.68 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.303 -0.862 . . . . 70.109999999999999 110.25 -174.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 139.89 -137.78 8.69 Favored Glycine 0 C--N 1.34 0.766 0 N-CA-C 110.765 -0.934 . . . . 74.400000000000006 110.765 -172.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -101.86 125.65 48.58 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 108.629 -0.878 . . . . 72.239999999999995 108.629 173.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.554 ' HZ2' HD11 ' A' ' 68' ' ' LEU . 78.6 t90 -107.65 134.53 50.5 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 123.672 0.789 . . . . 71.519999999999996 108.961 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.468 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 95.8 mt -113.36 144.27 43.05 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.985 0.914 . . . . 72.400000000000006 109.644 174.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 27.9 p -65.41 154.47 87.7 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 123.412 0.685 . . . . 73.099999999999994 110.949 174.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -51.58 -25.81 20.72 Favored 'Trans proline' 0 C--N 1.373 1.861 0 C-N-CA 123.092 2.528 . . . . 75.540000000000006 113.844 172.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -68.86 -40.84 79.12 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.488 0.715 . . . . 75.340000000000003 110.508 176.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.715 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 80.7 m -68.89 -28.34 66.59 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 122.861 0.464 . . . . 74.5 111.635 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.32 -39.33 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 O-C-N 124.175 0.922 . . . . 65.349999999999994 110.322 174.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.8 t -66.82 -37.11 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 123.501 0.721 . . . . 71.5 110.634 177.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -71.1 -29.0 64.73 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.815 0.846 . . . . 75.310000000000002 110.49 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 69.33 -170.94 0.18 Allowed 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.065 1.346 . . . . 63.409999999999997 109.733 -167.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 72.9 t -99.0 85.11 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 N-CA-C 108.083 -1.08 . . . . 70.439999999999998 108.083 171.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 45.3 m -77.27 75.76 3.83 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 121.801 0.81 . . . . 62.420000000000002 109.242 176.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -165.63 138.53 3.49 Favored Pre-proline 0 CA--C 1.547 0.853 0 CA-C-N 114.603 -1.181 . . . . 70.25 109.265 -171.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -70.37 74.76 1.53 Allowed 'Trans proline' 0 C--N 1.37 1.707 0 C-N-CA 122.77 2.313 . . . . 71.340000000000003 110.646 169.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.337 -0.847 . . . . 72.219999999999999 109.196 -177.948 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.891 'ZN ' ' HG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . 0.802 'ZN ' ' HG ' ' A' ' 59' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.5 t . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 109.682 -0.488 . . . . 74.549999999999997 109.682 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -119.58 113.17 20.3 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 124.291 1.036 . . . . 72.420000000000002 108.647 174.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.6 ptm -69.59 168.69 14.21 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.265 0.626 . . . . 71.049999999999997 110.937 177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.4 t -69.61 107.5 3.45 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 109.04 -0.726 . . . . 71.329999999999998 109.04 174.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.42 -17.36 43.55 Favored Glycine 0 C--N 1.347 1.175 0 C-N-CA 123.48 0.562 . . . . 73.120000000000005 112.097 -173.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.24 118.63 7.44 Favored Glycine 0 C--N 1.35 1.324 0 C-N-CA 123.164 0.412 . . . . 71.010000000000005 112.599 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.0 t -165.14 151.46 9.0 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 124.421 1.088 . . . . 42.229999999999997 108.946 -177.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -63.89 125.67 15.82 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 121.484 1.456 . . . . 71.329999999999998 109.813 168.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.89 90.18 1.11 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.891 0.876 . . . . 71.540000000000006 109.775 -173.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.25 82.22 1.35 Allowed 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 114.853 -1.067 . . . . 64.439999999999998 111.316 -173.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.1 p -82.66 81.28 8.5 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.153 -0.931 . . . . 74.239999999999995 108.726 173.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -125.35 128.66 6.66 Favored Glycine 0 C--N 1.346 1.085 0 CA-C-N 115.794 -0.639 . . . . 72.109999999999999 111.505 -178.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.3 p -116.51 158.72 23.16 Favored 'General case' 0 C--O 1.244 0.796 0 C-N-CA 123.937 0.895 . . . . 72.299999999999997 109.016 174.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -127.98 162.75 26.07 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.16 0.984 . . . . 71.340000000000003 109.684 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -164.02 84.91 0.46 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.461 0.705 . . . . 60.119999999999997 110.38 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -79.37 83.41 5.4 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 109.15 -0.685 . . . . 61.32 109.15 173.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.2 p -91.15 84.83 5.74 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 108.707 -0.849 . . . . 73.420000000000002 108.707 173.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -105.74 97.28 7.13 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.878 -1.055 . . . . 71.230000000000004 108.288 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -158.45 45.77 0.46 Allowed Glycine 0 C--N 1.341 0.847 0 CA-C-N 115.608 -0.724 . . . . 64.299999999999997 111.485 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.31 -10.73 59.88 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.754 0.821 . . . . 73.019999999999996 112.277 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.5 p -60.7 -26.41 67.12 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.068 0.947 . . . . 73.120000000000005 113.526 -176.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -71.23 102.63 2.59 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.001 0.52 . . . . 65.450000000000003 110.622 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -137.54 30.86 2.59 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.5 0.72 . . . . 70.109999999999999 109.11 174.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -75.79 141.28 42.56 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 114.944 -1.026 . . . . 75.549999999999997 110.108 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.49 37.66 0.06 OUTLIER Glycine 0 C--N 1.346 1.137 0 N-CA-C 112.237 -0.345 . . . . 40.049999999999997 112.237 175.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -162.27 75.48 0.18 Allowed Glycine 0 C--N 1.339 0.741 0 N-CA-C 110.994 -0.842 . . . . 54.530000000000001 110.994 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -72.61 133.51 82.59 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 123.611 0.765 . . . . 72.329999999999998 110.356 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -66.62 120.96 8.12 Favored 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.573 2.182 . . . . 65.430000000000007 112.026 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -63.34 90.64 0.14 Allowed 'Trans proline' 0 C--N 1.387 2.559 0 C-N-CA 122.989 2.459 . . . . 73.230000000000004 112.522 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.35 127.77 33.57 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 123.7 0.8 . . . . 71.230000000000004 109.686 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 pp -153.04 159.42 42.86 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.369 0.668 . . . . 71.430000000000007 111.375 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 pp -131.23 158.8 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.8 1.24 . . . . 61.240000000000002 108.584 174.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 51.5 t -132.56 103.82 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 N-CA-C 107.944 -1.132 . . . . 72.530000000000001 107.944 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -124.43 107.88 29.49 Favored Pre-proline 0 N--CA 1.476 0.855 0 C-N-CA 123.827 0.851 . . . . 62.020000000000003 111.218 -177.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.98 -2.94 13.21 Favored 'Trans proline' 0 C--N 1.37 1.684 0 C-N-CA 122.601 2.201 . . . . 54.130000000000003 112.014 162.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tt 71.48 -78.54 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.904 1.682 . . . . 75.129999999999995 109.691 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 65.8 mtt -63.57 -39.2 93.78 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.211 1.004 . . . . 74.109999999999999 110.863 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 tptp 53.38 88.67 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 O-C-N 124.693 1.246 . . . . 71.510000000000005 110.872 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.608 ' HB3' ' HG2' ' A' ' 53' ' ' MET . 99.0 m-85 -75.77 93.19 3.1 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.498 0.719 . . . . 74.530000000000001 110.204 -173.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.3 mt -90.28 111.15 22.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 108.241 -1.022 . . . . 71.329999999999998 108.241 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 47.4 t -58.05 124.29 18.81 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.393 0.677 . . . . 74.140000000000001 109.765 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -75.89 -8.19 56.32 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.658 0.783 . . . . 73.200000000000003 111.499 -174.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.6 mt -93.94 -40.35 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.059 0 C-N-CA 123.63 0.772 . . . . 71.439999999999998 109.07 175.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.743 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 56.5 m -84.06 -32.98 24.55 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.894 0.878 . . . . 72.129999999999995 112.533 -176.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 63.66 13.21 7.17 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 125.106 1.363 . . . . 72.219999999999999 111.385 -164.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -110.65 -72.74 0.71 Allowed 'General case' 0 C--N 1.354 0.786 0 C-N-CA 123.681 0.793 . . . . 74.040000000000006 109.295 -176.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.72 43.28 4.86 Favored Glycine 0 C--N 1.35 1.353 0 N-CA-C 110.588 -1.005 . . . . 64.519999999999996 110.588 -168.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -44.78 -72.33 0.06 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.665 1.586 . . . . 72.129999999999995 112.035 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.402 HG12 ' H ' ' A' ' 52' ' ' SER . 17.2 t -106.88 90.98 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 108.849 -0.796 . . . . 74.140000000000001 108.849 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.486 ' HA ' ' HB2' ' A' ' 53' ' ' MET . 54.8 mt-10 -73.09 -21.35 60.77 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.578 0.751 . . . . 74.150000000000006 110.623 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.11 -34.91 78.62 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.228 1.011 . . . . 62.240000000000002 110.927 173.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.402 ' H ' HG12 ' A' ' 49' ' ' VAL . 48.0 m -103.94 20.05 18.88 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.792 0.837 . . . . 74.140000000000001 110.92 178.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.608 ' HG2' ' HB3' ' A' ' 39' ' ' TYR . 53.0 tpp -77.03 125.16 28.86 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 116.006 -0.543 . . . . 75.349999999999994 109.921 178.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.467 HD11 HG22 ' A' ' 65' ' ' THR . 85.4 mt -88.51 115.96 26.4 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.315 -0.994 . . . . 74.129999999999995 108.315 168.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -99.85 116.71 32.55 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.233 -1.766 . . . . 72.230000000000004 106.233 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 41.6 t -65.48 105.55 1.21 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.355 -0.609 . . . . 53.450000000000003 109.355 174.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.43 -33.31 74.56 Favored 'General case' 0 N--CA 1.483 1.209 0 O-C-N 123.741 0.651 . . . . 74.349999999999994 110.964 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.01 28.72 8.29 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 115.318 -0.855 . . . . 70.340000000000003 112.962 178.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.763 ' HG ' 'ZN ' ' A' ' 102' ' ' ' ZN' . 85.1 m -145.97 -78.48 0.18 Allowed 'General case' 0 C--N 1.353 0.722 0 C-N-CA 123.87 0.868 . . . . 51.420000000000002 108.989 172.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.4 t70 140.8 -24.95 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 126.997 2.119 . . . . 72.430000000000007 108.103 -162.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -74.89 134.09 41.69 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.712 0.634 . . . . 51.420000000000002 112.712 -162.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.55 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 66.0 m -89.07 136.13 33.18 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.864 0.865 . . . . 70.239999999999995 110.235 178.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -141.48 134.11 28.51 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.891 1.276 . . . . 73.329999999999998 108.415 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.688 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 29.0 m170 -78.21 147.86 34.26 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 118.777 0.717 . . . . 60.439999999999998 109.431 166.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.65 HG21 HG12 ' A' ' 75' ' ' ILE . 32.0 p -55.37 -48.59 74.06 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.07 0.948 . . . . 61.43 110.485 173.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -82.94 -3.33 56.95 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.919 1.287 . . . . 71.230000000000004 113.18 -173.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.743 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 74.5 m -98.99 -17.34 18.35 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 122.956 0.502 . . . . 52.32 111.527 176.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 42.0 mt -71.04 164.4 25.64 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.488 0.715 . . . . 73.329999999999998 111.496 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.7 mt -130.07 111.63 17.03 Favored Pre-proline 0 CA--C 1.553 1.066 0 N-CA-C 108.863 -0.792 . . . . 72.420000000000002 108.863 173.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 71.6 Cg_endo -74.16 141.16 70.94 Favored 'Cis proline' 0 C--N 1.377 2.064 0 CA-C-N 120.01 1.039 . . . . 70.230000000000004 112.259 -0.032 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 70' ' ' PRO . 29.5 Cg_exo -60.78 127.22 21.85 Favored 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 122.706 2.27 . . . . 71.310000000000002 111.171 178.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.6 mt -81.84 100.08 9.39 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.31 0.644 . . . . 73.409999999999997 109.746 -177.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.3 m -64.06 -26.2 68.45 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.715 0.806 . . . . 61.439999999999998 110.858 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.5 m -110.66 132.83 53.86 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 124.215 1.006 . . . . 73.340000000000003 108.926 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.65 HG12 HG21 ' A' ' 65' ' ' THR . 50.6 mt -83.33 124.13 76.26 Favored Pre-proline 0 CA--C 1.548 0.886 0 N-CA-C 109.133 -0.691 . . . . 75.450000000000003 109.133 177.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -61.16 140.43 89.15 Favored 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 122.585 2.19 . . . . 64.329999999999998 110.74 168.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.468 ' HD2' ' O ' ' A' ' 77' ' ' LYS . 0.2 OUTLIER -61.87 97.43 0.08 Allowed 'General case' 0 CA--C 1.56 1.329 0 CA-C-O 121.931 0.872 . . . . 74.329999999999998 111.034 -176.891 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.03 -76.9 2.18 Favored Glycine 0 C--N 1.34 0.785 0 CA-C-N 115.26 -0.882 . . . . 71.530000000000001 113.765 164.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -106.85 120.16 41.27 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.902 0.881 . . . . 73.409999999999997 110.845 -173.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.426 ' CH2' ' HA ' ' A' ' 82' ' ' CYS . 74.4 t90 -121.99 155.42 35.6 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.326 1.451 . . . . 71.340000000000003 109.442 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.456 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 81.1 mt -115.22 136.48 53.06 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.827 0.851 . . . . 64.239999999999995 110.121 177.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.65 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 30.4 p -59.45 154.22 45.0 Favored Pre-proline 0 CA--C 1.553 1.086 0 C-N-CA 123.536 0.735 . . . . 73.25 111.324 177.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -49.89 -26.59 14.26 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 123.47 2.78 . . . . 51.43 113.631 172.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -75.68 -28.4 58.65 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.019 0.528 . . . . 74.299999999999997 111.593 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.678 ' SG ' 'ZN ' ' A' ' 102' ' ' ' ZN' . 86.3 m -79.46 -38.05 35.51 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 122.824 0.45 . . . . 74.340000000000003 110.266 174.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.7 t -70.1 -44.67 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 124.241 1.016 . . . . 60.200000000000003 111.29 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.436 ' O ' HG22 ' A' ' 90' ' ' VAL . 91.5 t -80.45 -18.81 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 123.006 0.522 . . . . 55.219999999999999 110.373 175.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 62.6 -85.09 0.02 OUTLIER 'General case' 0 C--N 1.359 0.996 0 C-N-CA 125.015 1.326 . . . . 74.299999999999997 110.432 -175.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -168.28 21.33 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.676 1.19 . . . . 74.109999999999999 108.034 175.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 87' ' ' VAL . 31.0 m -100.59 65.68 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 121.936 0.874 . . . . 75.200000000000003 110.578 -175.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.5 m -75.67 82.95 2.67 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 107.952 -1.129 . . . . 72.319999999999993 107.952 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -110.0 106.51 58.26 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 123.922 0.889 . . . . 63.009999999999998 109.768 -174.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -66.93 -58.58 0.14 Allowed 'Trans proline' 0 C--N 1.37 1.676 0 C-N-CA 122.112 1.875 . . . . 72.439999999999998 109.335 162.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 . . . . . 0 N--CA 1.487 1.42 0 C-N-CA 125.64 1.576 . . . . 71.219999999999999 108.716 171.109 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.629 'ZN ' ' SG ' ' A' ' 67' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . 0.763 'ZN ' ' HG ' ' A' ' 59' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 N--CA 1.482 1.129 0 N-CA-C 111.766 0.284 . . . . 71.120000000000005 111.766 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -138.89 162.5 34.67 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.063 0.545 . . . . 75.010000000000005 109.917 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -75.77 70.08 2.51 Favored 'General case' 0 CA--C 1.562 1.439 0 CA-C-O 121.974 0.892 . . . . 74.299999999999997 110.351 172.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.3 m -68.26 93.95 0.49 Allowed 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.367 -0.833 . . . . 73.209999999999994 110.91 -174.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 168.73 63.23 0.03 OUTLIER Glycine 0 C--N 1.342 0.878 0 CA-C-N 115.227 -0.897 . . . . 74.329999999999998 111.279 -177.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.71 110.98 0.46 Allowed Glycine 0 C--N 1.337 0.623 0 N-CA-C 110.681 -0.968 . . . . 65.150000000000006 110.681 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.4 p -146.13 140.63 15.68 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 123.309 0.644 . . . . 41.439999999999998 110.119 -177.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.76 159.45 42.13 Favored 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 122.551 2.168 . . . . 65.430000000000007 112.086 175.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 pp -151.65 147.18 26.43 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 123.232 0.613 . . . . 74.019999999999996 110.712 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -169.98 85.46 0.12 Allowed 'General case' 0 C--O 1.242 0.692 0 C-N-CA 124.525 1.13 . . . . 22.210000000000001 108.542 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 48.0 m -141.25 104.06 4.55 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 107.983 -1.117 . . . . 54.409999999999997 107.983 176.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.85 64.68 0.02 OUTLIER Glycine 0 C--N 1.341 0.81 0 N-CA-C 111.265 -0.734 . . . . 62.210000000000001 111.265 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.8 t -99.33 152.04 20.39 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.586 -0.524 . . . . 72.430000000000007 109.586 173.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 t -161.54 119.28 2.28 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 108.375 -0.972 . . . . 74.239999999999995 108.375 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -155.14 81.09 1.06 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.015 0.526 . . . . 63.229999999999997 110.592 -174.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -148.54 93.37 2.13 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 108.966 -0.753 . . . . 62.530000000000001 108.966 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 t -88.14 136.17 33.09 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.007 -0.542 . . . . 64.0 109.559 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -144.54 102.37 3.81 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.963 0.505 . . . . 75.209999999999994 109.712 -177.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.64 98.67 0.12 Allowed Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.272 -0.731 . . . . 75.5 111.272 178.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.83 114.2 5.57 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.568 0.747 . . . . 73.519999999999996 109.522 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 51.0 m -124.69 93.48 3.91 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.652 0.781 . . . . 74.230000000000004 109.763 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -89.48 103.14 15.8 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.476 0.71 . . . . 71.200000000000003 109.368 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -150.76 108.69 3.7 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 109.746 -0.464 . . . . 75.019999999999996 109.746 176.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -157.91 -169.27 2.77 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.602 1.161 . . . . 65.430000000000007 108.957 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.21 -152.81 21.47 Favored Glycine 0 C--N 1.344 1.026 0 CA-C-O 119.825 -0.43 . . . . 55.439999999999998 112.075 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.26 32.53 84.11 Favored Glycine 0 C--N 1.351 1.377 0 O-C-N 123.612 0.242 . . . . 62.350000000000001 113.175 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -70.42 115.79 38.49 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 124.089 0.956 . . . . 73.040000000000006 109.791 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -91.29 100.64 0.23 Allowed 'Trans proline' 0 C--N 1.384 2.398 0 C-N-CA 123.164 2.576 . . . . 32.130000000000003 112.165 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -90.75 86.37 0.33 Allowed 'Trans proline' 0 C--N 1.379 2.136 0 C-N-CA 122.484 2.123 . . . . 72.25 111.628 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.43 98.17 0.47 Allowed 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.141 -0.936 . . . . 65.409999999999997 109.881 174.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.3 mt -83.61 69.42 10.12 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.531 0.732 . . . . 64.099999999999994 110.306 -176.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.6 mm -90.05 104.69 15.44 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 N-CA-C 105.894 -1.891 . . . . 71.409999999999997 105.894 168.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.5 m -55.72 -30.79 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.444 1.098 . . . . 63.109999999999999 113.034 -168.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -107.22 138.58 19.92 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 124.336 1.055 . . . . 63.43 109.424 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -93.49 17.95 1.01 Allowed 'Trans proline' 0 CA--C 1.551 1.372 0 C-N-CA 122.664 2.242 . . . . 62.130000000000003 112.941 167.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -145.41 -65.97 0.32 Allowed 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 111.971 0.36 . . . . 65.540000000000006 111.971 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 25.9 ptt? 173.1 160.11 0.12 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.746 1.218 . . . . 73.310000000000002 109.833 -173.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 1.8 mppt? -127.65 153.65 46.2 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 106.53 -1.656 . . . . 63.219999999999999 106.53 157.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -74.0 -47.69 35.44 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.657 -0.497 . . . . 75.239999999999995 109.657 171.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.1 mt 66.92 152.55 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.559 1.304 0 C-N-CA 125.131 1.372 . . . . 74.430000000000007 111.71 -176.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.517 ' HB3' ' SG ' ' A' ' 44' ' ' CYS . 41.0 t -77.51 110.6 12.42 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 108.906 -0.776 . . . . 53.240000000000002 108.906 174.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -58.76 -16.89 18.88 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 125.141 1.376 . . . . 74.439999999999998 113.519 -171.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.5 mt -101.02 -39.76 7.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 123.292 0.637 . . . . 45.5 111.121 -175.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.517 ' SG ' ' HB3' ' A' ' 41' ' ' CYS . 32.1 p -105.27 2.4 28.95 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.945 -0.472 . . . . 62.32 112.269 -171.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 75.85 -21.54 0.31 Allowed 'General case' 0 N--CA 1.499 1.98 0 C-N-CA 125.071 1.348 . . . . 72.340000000000003 113.76 170.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -114.54 148.33 38.12 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 121.612 -0.68 . . . . 74.400000000000006 110.753 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.96 47.3 1.39 Allowed Glycine 0 C--N 1.344 1.0 0 CA-C-N 115.285 -0.87 . . . . 61.140000000000001 111.142 173.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -94.94 160.18 14.7 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.37 1.068 . . . . 72.299999999999997 108.626 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.0 t 58.07 55.89 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 CA-C-O 122.548 1.166 . . . . 74.319999999999993 108.81 -174.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 53' ' ' MET . 34.3 mt-10 -63.43 -23.6 67.47 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 114.034 -1.439 . . . . 72.340000000000003 112.916 -173.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -72.76 -21.3 61.03 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.255 0.622 . . . . 75.430000000000007 112.007 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.4 t -96.54 -5.41 39.4 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 122.757 0.423 . . . . 74.319999999999993 111.965 -177.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.563 ' HA ' ' HA ' ' A' ' 64' ' ' HIS . 22.3 ptp -88.8 128.33 35.64 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-O 121.412 0.625 . . . . 61.219999999999999 109.796 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.484 ' HB3' ' HB3' ' A' ' 80' ' ' TRP . 87.2 mt -97.59 132.11 43.55 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.631 -1.168 . . . . 75.040000000000006 108.177 175.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.8 131.55 46.64 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 107.672 -1.233 . . . . 74.430000000000007 107.672 -175.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 41.2 t -79.89 117.39 20.71 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 122.952 0.501 . . . . 74.540000000000006 109.996 176.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.36 -36.32 81.88 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.113 0.965 . . . . 72.530000000000001 111.164 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -93.51 25.01 23.02 Favored Glycine 0 C--N 1.354 1.543 0 CA-C-N 115.716 -0.674 . . . . 61.409999999999997 113.732 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.82 ' HG ' 'ZN ' ' A' ' 102' ' ' ' ZN' . 76.2 m -150.56 -169.37 3.37 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.83 1.252 . . . . 73.439999999999998 108.379 173.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -116.21 -4.35 11.92 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.708 0.803 . . . . 72.150000000000006 110.13 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -92.56 154.64 18.3 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.334 0.654 . . . . 74.25 111.56 -165.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.5 p -118.16 127.93 54.23 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.689 1.196 . . . . 61.229999999999997 109.957 175.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -126.18 125.2 42.07 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.925 0.89 . . . . 75.420000000000002 109.541 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.682 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 49.4 m80 -67.14 152.64 45.4 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.351 0.26 . . . . 74.319999999999993 110.64 174.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.9 p -59.49 -42.63 92.57 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 124.291 0.994 . . . . 44.119999999999997 110.735 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -79.93 -30.65 39.98 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.803 0.841 . . . . 64.129999999999995 112.678 -177.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.682 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 88.6 m -64.5 -27.79 69.21 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.072 0.549 . . . . 64.030000000000001 111.906 178.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.6 mt -76.93 137.5 39.13 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.247 0.619 . . . . 75.409999999999997 110.056 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.6 mp -121.25 118.18 30.17 Favored Pre-proline 0 CA--C 1.56 1.357 0 N-CA-C 108.388 -0.967 . . . . 72.200000000000003 108.388 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.03 146.84 85.91 Favored 'Cis proline' 0 C--N 1.385 2.48 0 CA-C-N 120.509 1.218 . . . . 54.530000000000001 111.697 -3.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.05 147.0 91.72 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.304 2.003 . . . . 64.150000000000006 112.294 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.43 HD12 HD12 ' A' ' 54' ' ' LEU . 72.8 mt -74.07 79.19 1.72 Allowed 'General case' 0 C--O 1.238 0.492 0 N-CA-C 108.88 -0.785 . . . . 74.439999999999998 108.88 174.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 59.9 p -69.58 -30.47 68.25 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 108.899 -0.778 . . . . 74.5 108.899 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.9 p -96.86 108.56 21.27 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.299 -0.864 . . . . 64.409999999999997 109.109 163.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 63.3 mt -83.92 126.47 70.33 Favored Pre-proline 0 CA--C 1.546 0.826 0 CA-C-N 114.685 -1.143 . . . . 73.439999999999998 108.315 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -78.85 71.43 6.97 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.692 2.261 . . . . 73.400000000000006 113.629 -169.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? 72.5 -36.58 0.36 Allowed 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 125.866 1.667 . . . . 65.430000000000007 114.05 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.54 -47.53 0.39 Allowed Glycine 0 C--N 1.34 0.803 0 N-CA-C 110.763 -0.935 . . . . 52.43 110.763 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.64 144.48 26.64 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.956 0.902 . . . . 73.25 110.152 178.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.484 ' HB3' ' HB3' ' A' ' 54' ' ' LEU . 60.4 t90 -141.59 143.13 33.54 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.577 0.751 . . . . 74.310000000000002 110.375 -172.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.2 mt -103.28 135.61 44.6 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.282 0.633 . . . . 75.239999999999995 109.429 171.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 29.7 p -65.98 148.48 98.32 Favored Pre-proline 0 CA--C 1.548 0.871 0 O-C-N 123.945 0.778 . . . . 75.420000000000002 110.777 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.452 ' O ' HG23 ' A' ' 87' ' ' VAL . 88.9 Cg_exo -47.26 -34.71 18.86 Favored 'Trans proline' 0 C--N 1.381 2.256 0 C-N-CA 123.623 2.882 . . . . 73.340000000000003 113.028 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -57.31 -48.48 78.84 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.867 1.267 . . . . 74.310000000000002 111.452 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 80.1 m -65.63 -35.88 82.08 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.481 0.712 . . . . 54.119999999999997 111.2 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.0 t -72.64 -25.36 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 CA-C-N 114.31 -1.314 . . . . 64.209999999999994 111.489 -178.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 83' ' ' PRO . 78.3 t -55.5 -50.53 65.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 C-N-CA 123.347 0.659 . . . . 72.439999999999998 111.058 175.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -83.64 163.88 20.04 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.473 -0.785 . . . . 70.340000000000003 110.321 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -73.26 111.2 8.16 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.509 0.724 . . . . 64.099999999999994 110.89 -178.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.5 p -76.23 -16.32 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 123.858 0.863 . . . . 53.130000000000003 110.262 173.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.3 m 75.15 74.43 0.1 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.019 1.728 . . . . 71.200000000000003 112.037 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -96.14 114.84 65.01 Favored Pre-proline 0 CA--C 1.552 1.03 0 N-CA-C 107.746 -1.205 . . . . 65.120000000000005 107.746 166.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -67.72 88.1 0.35 Allowed 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 123.421 2.747 . . . . 72.319999999999993 113.107 -172.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 . . . . . 0 C--O 1.252 1.191 0 C-N-CA 125.342 1.457 . . . . 65.120000000000005 107.926 174.504 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . 0.82 'ZN ' ' HG ' ' A' ' 59' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.58 0.229 . . . . 64.310000000000002 110.676 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -74.13 88.52 1.95 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.418 0.687 . . . . 72.219999999999999 110.265 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.8 tpt -84.43 84.4 7.66 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 108.913 -0.773 . . . . 73.409999999999997 108.913 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.4 m -76.4 89.64 3.21 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.953 -1.021 . . . . 54.240000000000002 109.72 177.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.91 60.53 4.88 Favored Glycine 0 C--N 1.345 1.073 0 CA-C-N 115.771 -0.65 . . . . 72.439999999999998 111.741 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.83 127.96 4.25 Favored Glycine 0 C--N 1.346 1.095 0 N-CA-C 110.56 -1.016 . . . . 62.119999999999997 110.56 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.431 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 20.3 m -69.43 131.76 89.91 Favored Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 123.395 0.678 . . . . 72.400000000000006 110.88 -176.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 7' ' ' SER . 11.7 Cg_exo -71.05 121.56 7.96 Favored 'Trans proline' 0 C--N 1.382 2.324 0 C-N-CA 122.628 2.219 . . . . 72.140000000000001 111.571 178.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 pp -155.15 166.25 34.17 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 123.992 0.917 . . . . 74.340000000000003 110.099 176.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -164.09 97.62 0.82 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.987 0.915 . . . . 61.030000000000001 108.73 175.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.1 m -77.17 92.21 3.8 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.234 0.614 . . . . 74.140000000000001 109.575 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.99 100.64 0.86 Allowed Glycine 0 C--N 1.346 1.112 0 N-CA-C 110.856 -0.897 . . . . 63.25 110.856 175.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.6 t -139.37 135.74 34.01 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.823 0.849 . . . . 73.329999999999998 109.833 -173.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 t -164.93 122.2 1.57 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.959 0.903 . . . . 63.409999999999997 108.94 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.28 88.43 6.01 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.231 -0.655 . . . . 62.539999999999999 109.231 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -125.9 140.14 52.88 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.19 0.996 . . . . 73.099999999999994 109.364 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.8 t -101.72 156.64 17.37 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 108.357 -0.979 . . . . 73.010000000000005 108.357 168.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -99.42 116.1 30.79 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 109.451 -0.574 . . . . 74.439999999999998 109.451 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.44 124.05 1.05 Allowed Glycine 0 C--N 1.339 0.731 0 CA-C-N 115.641 -0.709 . . . . 61.149999999999999 111.699 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -157.84 20.6 0.26 Allowed 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.406 0.682 . . . . 52.140000000000001 111.416 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.4 m -66.06 -7.56 18.14 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.759 0.824 . . . . 53.520000000000003 113.209 -176.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.22 12.07 12.62 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.269 1.028 . . . . 60.5 112.825 177.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -47.1 -73.34 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 125.175 1.39 . . . . 53.210000000000001 114.228 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -90.93 170.02 10.41 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.151 0.58 . . . . 74.040000000000006 112.217 -168.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.6 142.16 8.94 Favored Glycine 0 C--N 1.343 0.931 0 N-CA-C 110.98 -0.848 . . . . 63.009999999999998 110.98 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.77 85.35 0.87 Allowed Glycine 0 C--N 1.346 1.129 0 N-CA-C 111.955 -0.458 . . . . 74.430000000000007 111.955 -176.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -85.11 108.1 14.3 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 124.265 1.026 . . . . 74.239999999999995 109.722 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -83.47 152.58 13.63 Favored 'Trans proline' 0 C--N 1.377 2.033 0 C-N-CA 123.053 2.502 . . . . 62.030000000000001 112.617 -175.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -72.5 138.48 29.77 Favored 'Trans proline' 0 C--N 1.379 2.147 0 C-N-CA 122.77 2.313 . . . . 72.019999999999996 112.029 175.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.06 99.08 3.8 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.049 0.54 . . . . 71.120000000000005 110.324 177.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 77.0 mt -104.78 163.69 12.32 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.776 0.83 . . . . 74.319999999999993 111.014 -175.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 pt -82.71 142.65 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 123.719 0.808 . . . . 51.450000000000003 110.468 175.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.9 m -76.93 -26.15 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 122.932 0.493 . . . . 73.340000000000003 111.555 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -109.42 99.83 38.74 Favored Pre-proline 0 CA--C 1.558 1.273 0 C-N-CA 123.306 0.642 . . . . 42.149999999999999 109.384 175.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.494 ' HG2' HD22 ' A' ' 36' ' ' LEU . 38.5 Cg_endo -65.62 -25.6 54.48 Favored 'Trans proline' 0 C--N 1.382 2.299 0 C-N-CA 123.053 2.502 . . . . 71.409999999999997 114.185 -175.161 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.494 HD22 ' HG2' ' A' ' 35' ' ' PRO . 3.2 mm? -80.88 -13.7 58.69 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.732 0.413 . . . . 75.319999999999993 111.925 -177.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 68.9 mtp 55.59 68.11 0.91 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.353 1.061 . . . . 74.5 110.871 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -86.49 106.24 17.35 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.427 -0.806 . . . . 74.030000000000001 110.957 -173.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.454 ' HE1' ' HG ' ' A' ' 55' ' ' LEU . 89.5 m-85 -79.17 79.56 5.58 Favored 'General case' 0 C--N 1.348 0.51 0 N-CA-C 108.544 -0.91 . . . . 75.409999999999997 108.544 170.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 83.5 mt -104.76 124.15 59.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 108.371 -0.974 . . . . 74.040000000000006 108.371 178.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.514 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 47.0 t -71.85 112.12 7.68 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 109.119 -0.697 . . . . 64.319999999999993 109.119 175.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -69.57 1.5 4.03 Favored 'General case' 0 CA--C 1.561 1.388 0 N-CA-C 113.45 0.908 . . . . 75.239999999999995 113.45 -173.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.403 HG13 ' HE1' ' A' ' 63' ' ' TYR . 75.3 mt -113.08 -29.55 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.926 0.89 . . . . 62.32 110.593 174.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.905 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 56.6 m -95.9 -23.98 16.63 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 112.171 0.434 . . . . 72.140000000000001 112.171 -175.428 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 t30 72.36 -50.76 0.7 Allowed 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 125.625 1.57 . . . . 73.310000000000002 111.201 -167.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -75.52 128.3 34.99 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 123.877 0.871 . . . . 53.399999999999999 111.321 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.21 40.81 2.45 Favored Glycine 0 C--N 1.349 1.272 0 N-CA-C 111.126 -0.789 . . . . 74.510000000000005 111.126 172.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -64.03 -53.05 56.09 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 125.475 1.51 . . . . 73.439999999999998 110.651 -174.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.9 t -92.1 73.54 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 CA-C-N 115.185 -0.916 . . . . 74.430000000000007 109.463 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -69.79 -31.94 70.14 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.896 0.479 . . . . 75.409999999999997 110.911 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -64.29 -35.11 79.78 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.667 0.787 . . . . 61.130000000000003 112.421 -177.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -101.27 20.22 16.22 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.118 0.485 . . . . 54.439999999999998 110.021 178.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.507 ' SD ' ' HB3' ' A' ' 62' ' ' SER . 45.0 ttm -105.18 138.08 41.94 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.936 0.894 . . . . 74.099999999999994 109.078 175.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.42 HD11 ' HD2' ' A' ' 76' ' ' PRO . 93.9 mt -106.91 157.07 18.05 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.143 0.977 . . . . 72.510000000000005 110.065 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.454 ' HG ' ' HE1' ' A' ' 39' ' ' TYR . 3.4 tm? -128.78 139.98 51.93 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 107.761 -1.199 . . . . 74.430000000000007 107.761 -175.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.504 ' SG ' ' HB3' ' A' ' 82' ' ' CYS . 74.3 m -82.48 125.64 31.33 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.518 0.727 . . . . 54.340000000000003 111.932 -176.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -68.91 -31.86 71.07 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.367 0.667 . . . . 72.340000000000003 111.121 171.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.31 -75.28 1.28 Allowed Glycine 0 C--N 1.35 1.316 0 CA-C-N 115.707 -0.679 . . . . 51.32 113.127 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.8 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 31.1 p -82.32 -178.84 7.2 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.795 0.838 . . . . 41.149999999999999 111.797 -177.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -114.65 102.78 10.35 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.073 0.949 . . . . 73.530000000000001 109.964 -178.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -177.5 161.34 1.72 Allowed 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 124.766 1.226 . . . . 73.519999999999996 109.429 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.507 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 28.5 m -129.07 143.04 50.73 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 124.015 0.926 . . . . 45.350000000000001 109.24 172.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.403 ' HE1' HG13 ' A' ' 43' ' ' ILE . 70.1 m-85 -146.13 139.27 25.84 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.592 0.757 . . . . 71.430000000000007 109.988 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.763 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 35.5 m80 -74.81 144.52 43.47 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 108.334 -0.988 . . . . 70.310000000000002 108.334 171.283 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.44 HG21 HG12 ' A' ' 75' ' ' ILE . 43.0 p -59.35 -46.75 87.78 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 124.161 0.913 . . . . 65.010000000000005 111.426 177.397 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -70.83 -24.3 62.51 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.121 -0.945 . . . . 75.519999999999996 112.998 -178.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.763 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 17.1 p -97.01 20.79 10.66 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.089 0.471 . . . . 71.310000000000002 111.535 -177.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.8 mt -108.84 159.53 16.71 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.116 0.966 . . . . 71.450000000000003 109.786 173.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.2 mt -127.37 114.35 21.36 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 123.382 0.673 . . . . 74.109999999999999 109.231 173.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -74.86 141.87 73.06 Favored 'Cis proline' 0 C--N 1.382 2.336 0 C-N-CA 124.448 -1.063 . . . . 74.319999999999993 112.424 -1.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.56 133.4 29.82 Favored 'Trans proline' 0 C--N 1.382 2.309 0 C-N-CA 122.53 2.154 . . . . 72.0 111.806 -177.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.9 mt -83.13 76.37 9.86 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.485 0.66 . . . . 74.310000000000002 109.46 -177.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.7 p -60.09 -35.06 74.36 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.922 -1.036 . . . . 70.219999999999999 110.385 175.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.4 m -89.0 104.41 16.95 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 107.834 -1.172 . . . . 71.519999999999996 107.834 165.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.44 HG12 HG21 ' A' ' 65' ' ' THR . 51.0 mt -90.12 124.01 64.39 Favored Pre-proline 0 N--CA 1.475 0.795 0 C-N-CA 124.466 1.107 . . . . 61.409999999999997 109.999 -175.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.42 ' HD2' HD11 ' A' ' 54' ' ' LEU . 85.8 Cg_endo -91.01 96.17 0.23 Allowed 'Trans proline' 0 C--N 1.374 1.875 0 C-N-CA 122.744 2.296 . . . . 64.540000000000006 111.137 169.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -71.27 66.03 0.43 Allowed 'General case' 0 CA--C 1.565 1.522 0 CA-C-O 121.335 0.588 . . . . 74.420000000000002 111.956 176.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -158.65 -158.92 9.3 Favored Glycine 0 C--N 1.342 0.911 0 N-CA-C 110.797 -0.921 . . . . 65.310000000000002 110.797 165.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -61.01 104.1 0.33 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.438 0.695 . . . . 73.099999999999994 110.58 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.426 ' O ' ' HA ' ' A' ' 56' ' ' CYS . 65.3 t90 -106.58 155.56 19.5 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.229 1.012 . . . . 74.439999999999998 109.44 -179.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.1 mt -119.21 127.38 53.22 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.579 0.752 . . . . 54.229999999999997 109.471 177.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.8 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 16.4 p -83.65 167.51 27.93 Favored Pre-proline 0 N--CA 1.477 0.896 0 C-N-CA 123.026 0.53 . . . . 72.140000000000001 110.105 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -42.42 -40.12 6.99 Favored 'Trans proline' 0 C--N 1.378 2.098 0 C-N-CA 122.909 2.406 . . . . 75.439999999999998 113.638 168.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.696 HH11 ' HB2' ' A' ' 59' ' ' CYS . 60.5 ttt-85 -62.29 -42.63 99.52 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.255 0.622 . . . . 65.319999999999993 111.509 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.783 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 69.8 m -59.18 -45.08 91.98 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.173 0.511 . . . . 71.430000000000007 110.659 175.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 43.8 t -67.96 -33.07 59.1 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.161 0 CA-C-N 114.782 -1.099 . . . . 61.530000000000001 111.202 -177.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 52.9 t -72.22 -24.85 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 123.228 0.611 . . . . 62.43 111.437 178.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -57.69 123.81 16.95 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.033 0.533 . . . . 72.010000000000005 111.109 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 67.33 178.75 0.23 Allowed 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 125.09 1.356 . . . . 71.349999999999994 111.176 -173.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.5 p -107.72 118.89 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 N-CA-C 109.103 -0.702 . . . . 75.219999999999999 109.103 172.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.4 m -70.52 118.33 13.19 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.402 0.681 . . . . 74.349999999999994 109.969 174.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -64.56 149.58 95.16 Favored Pre-proline 0 CA--C 1.555 1.158 0 N-CA-C 109.044 -0.725 . . . . 73.530000000000001 109.044 166.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.81 126.48 21.88 Favored 'Trans proline' 0 C--N 1.377 2.072 0 C-N-CA 122.427 2.085 . . . . 64.430000000000007 112.438 -177.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 . . . . . 0 CA--C 1.562 1.426 0 C-N-CA 123.562 0.745 . . . . 70.099999999999994 110.766 -176.692 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.905 'ZN ' ' HG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . 0.696 'ZN ' ' HG ' ' A' ' 82' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.2 m . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 110.509 -0.182 . . . . 70.140000000000001 110.509 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -120.16 160.2 23.36 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.01 0.924 . . . . 70.310000000000002 109.131 172.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.3 ptm -76.97 160.2 29.34 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.921 0.489 . . . . 73.409999999999997 111.081 179.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.3 t -135.4 94.96 3.18 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.485 0.714 . . . . 60.219999999999999 109.086 -175.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.84 61.69 4.7 Favored Glycine 0 C--N 1.348 1.201 0 CA-C-N 116.136 -0.483 . . . . 75.219999999999999 112.41 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.03 50.98 1.32 Allowed Glycine 0 C--N 1.349 1.264 0 C-N-CA 123.121 0.391 . . . . 51.049999999999997 112.254 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.3 p -139.23 100.67 7.73 Favored Pre-proline 0 CA--C 1.55 0.957 0 N-CA-C 108.801 -0.814 . . . . 75.329999999999998 108.801 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -81.82 178.97 6.02 Favored 'Trans proline' 0 C--N 1.372 1.777 0 C-N-CA 123.058 2.506 . . . . 64.340000000000003 112.647 -176.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pp -79.28 146.13 33.15 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.296 -0.631 . . . . 73.409999999999997 109.296 169.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.45 98.89 3.33 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.875 0.47 . . . . 62.520000000000003 110.901 -170.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.4 m -109.17 75.42 0.95 Allowed 'General case' 0 C--O 1.241 0.643 0 N-CA-C 107.545 -1.28 . . . . 75.409999999999997 107.545 169.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.6 130.01 20.04 Favored Glycine 0 C--N 1.347 1.171 0 CA-C-N 114.89 -1.05 . . . . 65.450000000000003 111.777 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.9 p -66.93 118.86 10.99 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 109.279 -0.637 . . . . 75.099999999999994 109.279 177.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.1 t -66.9 124.95 24.42 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 123.547 0.529 . . . . 63.399999999999999 109.708 -178.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.9 101.51 1.77 Allowed 'General case' 0 C--O 1.241 0.634 0 N-CA-C 109.238 -0.653 . . . . 53.200000000000003 109.238 177.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -129.78 136.41 49.59 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.821 0.848 . . . . 74.230000000000004 109.809 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.8 t -168.5 169.17 10.6 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 124.968 1.307 . . . . 72.25 108.82 -176.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -150.82 170.19 19.87 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.916 0.389 . . . . 71.209999999999994 110.83 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.45 112.32 1.55 Allowed Glycine 0 C--N 1.342 0.891 0 CA-C-N 115.62 -0.718 . . . . 72.319999999999993 111.435 -176.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.98 141.77 38.35 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.628 0.771 . . . . 74.209999999999994 110.038 -178.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.7 m -139.66 75.71 1.53 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.871 0.869 . . . . 53.439999999999998 108.792 178.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -154.17 110.53 3.29 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.904 0.481 . . . . 60.399999999999999 110.856 -174.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -139.19 161.96 36.15 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.666 1.187 . . . . 65.230000000000004 108.435 167.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -144.28 135.56 25.52 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 108.526 -0.916 . . . . 74.239999999999995 108.526 -175.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.31 122.74 6.95 Favored Glycine 0 C--N 1.343 0.957 0 O-C-N 123.728 0.643 . . . . 52.030000000000001 113.496 -177.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -89.39 -172.42 45.69 Favored Glycine 0 C--N 1.345 1.035 0 N-CA-C 112.07 -0.412 . . . . 45.439999999999998 112.07 174.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -136.23 139.67 30.61 Favored Pre-proline 0 N--CA 1.481 1.098 0 C-N-CA 123.305 0.642 . . . . 74.120000000000005 110.799 -177.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -85.88 131.56 3.84 Favored 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 122.68 2.253 . . . . 72.040000000000006 112.436 172.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -81.23 105.87 1.67 Allowed 'Trans proline' 0 C--N 1.377 2.059 0 C-N-CA 122.563 2.175 . . . . 62.109999999999999 111.711 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.9 99.98 4.67 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.908 -0.405 . . . . 64.010000000000005 109.908 177.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.3 mt -112.7 98.83 7.48 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.057 0.943 . . . . 73.099999999999994 109.98 -176.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.9 mt 53.59 68.39 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.092 0 C-N-CA 125.094 1.358 . . . . 73.109999999999999 110.729 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.9 t -92.92 91.31 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 108.74 -0.837 . . . . 50.210000000000001 108.74 177.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 68.12 135.54 0.04 OUTLIER Pre-proline 0 N--CA 1.492 1.651 0 C-N-CA 125.305 1.442 . . . . 74.5 112.008 -175.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.41 -30.26 30.02 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 122.576 2.184 . . . . 73.150000000000006 112.256 175.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.1 mt 62.42 16.54 8.71 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.975 1.31 . . . . 70.439999999999998 112.019 -177.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 25.6 ttt -100.5 99.26 9.84 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 124.05 0.94 . . . . 65.409999999999997 108.816 176.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -159.78 160.95 34.49 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 123.657 0.783 . . . . 75.450000000000003 109.872 176.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -118.78 -60.44 1.76 Allowed 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.539 -0.911 . . . . 65.150000000000006 108.539 170.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.477 HG23 ' O ' ' A' ' 45' ' ' ASN . 28.3 mt 65.26 136.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 124.836 1.335 . . . . 71.349999999999994 110.476 -175.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.853 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 42.7 t -75.9 122.3 23.93 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 109.018 -0.734 . . . . 63.439999999999998 109.018 -179.087 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -58.9 -23.38 61.05 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.336 1.055 . . . . 73.219999999999999 112.068 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.527 HD13 ' HB3' ' A' ' 67' ' ' CYS . 3.3 mp -108.09 -51.18 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.383 0.673 . . . . 73.040000000000006 110.338 -171.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.709 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 26.2 p -118.63 23.24 11.6 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 111.987 0.366 . . . . 71.099999999999994 111.987 -166.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.477 ' O ' HG23 ' A' ' 40' ' ' ILE . 41.3 m-80 75.42 -65.73 0.32 Allowed 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 125.859 1.663 . . . . 72.329999999999998 112.971 167.411 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -59.83 124.52 20.43 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.892 0.877 . . . . 62.109999999999999 112.822 -165.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.06 40.33 2.45 Favored Glycine 0 C--N 1.349 1.282 0 N-CA-C 109.033 -1.627 . . . . 71.219999999999999 109.033 170.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -97.15 -50.98 4.38 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 125.878 1.671 . . . . 65.420000000000002 109.093 -172.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.5 t -85.73 70.52 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 115.061 -0.972 . . . . 71.310000000000002 108.72 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -78.64 -20.77 49.55 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.418 -0.81 . . . . 75.420000000000002 111.069 -177.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.23 -34.62 78.51 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.27 0.628 . . . . 64.400000000000006 111.826 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.8 m -102.05 2.76 38.03 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.278 0.631 . . . . 70.540000000000006 110.39 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.426 ' HA ' ' HA ' ' A' ' 64' ' ' HIS . 51.5 ttm -86.57 113.31 22.37 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 123.017 0.527 . . . . 72.329999999999998 110.228 177.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 mp -87.19 127.8 35.15 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 107.977 -1.12 . . . . 51.420000000000002 107.977 175.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -99.75 125.62 45.68 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 106.695 -1.595 . . . . 61.539999999999999 106.695 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.896 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 19.8 t -82.34 119.05 23.65 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.013 0.525 . . . . 72.310000000000002 110.945 -173.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.58 -35.23 63.02 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.362 1.065 . . . . 62.219999999999999 111.401 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.02 7.64 59.31 Favored Glycine 0 C--N 1.348 1.213 0 N-CA-C 115.112 0.805 . . . . 71.329999999999998 115.112 -178.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.875 ' HG ' 'ZN ' ' A' ' 102' ' ' ' ZN' . 22.2 p -159.69 -158.11 0.63 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 108.412 -0.959 . . . . 73.109999999999999 108.412 177.148 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -101.1 -24.91 14.21 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.073 0.949 . . . . 74.409999999999997 109.85 177.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.55 158.17 15.68 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.053 0.941 . . . . 74.120000000000005 112.837 -165.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.1 t -141.74 123.11 14.87 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.006 0.922 . . . . 72.120000000000005 109.42 -175.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.428 ' CE2' HD11 ' A' ' 43' ' ' ILE . 36.5 m-85 -122.72 166.13 15.42 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.044 1.338 . . . . 72.349999999999994 109.883 -176.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.728 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 32.5 m80 -99.17 178.24 4.98 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 108.987 -0.746 . . . . 70.129999999999995 108.987 164.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.5 p -60.14 -52.59 64.68 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 114.634 -1.166 . . . . 63.409999999999997 108.807 161.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -95.28 73.55 3.33 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.25 1.02 . . . . 73.209999999999994 109.737 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.853 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 55.5 m -148.88 -13.97 0.32 Allowed 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 115.022 -0.99 . . . . 72.340000000000003 111.909 175.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 mp -110.61 179.88 3.95 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.035 0.534 . . . . 61.229999999999997 110.376 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . 1.5 pt? -132.78 113.32 13.88 Favored Pre-proline 0 CA--C 1.554 1.113 0 N-CA-C 108.494 -0.928 . . . . 65.209999999999994 108.494 173.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 69' ' ' LEU . 91.3 Cg_endo -78.24 142.71 70.59 Favored 'Cis proline' 0 C--N 1.375 1.923 0 C-N-CA 123.464 -1.473 . . . . 71.219999999999999 112.909 -2.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.99 127.22 23.49 Favored 'Trans proline' 0 C--N 1.383 2.363 0 C-N-CA 122.682 2.255 . . . . 74.439999999999998 111.748 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.82 111.07 2.29 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.626 0.77 . . . . 64.319999999999993 110.959 -174.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.2 t -74.5 -23.38 58.84 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.954 -0.566 . . . . 63.450000000000003 111.25 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.8 m -128.99 152.26 48.79 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.809 0.844 . . . . 74.120000000000005 110.557 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.2 mm -77.95 115.76 53.05 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 123.15 0.58 . . . . 72.140000000000001 109.452 172.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -80.16 86.92 1.58 Allowed 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.426 2.084 . . . . 72.25 110.838 175.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 91.1 mttt 73.49 -68.17 0.23 Allowed 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 126.06 1.744 . . . . 51.450000000000003 111.206 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 151.96 -45.62 0.61 Allowed Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 107.804 -2.118 . . . . 75.450000000000003 107.804 -174.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.45 80.8 1.92 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 121.88 0.848 . . . . 44.119999999999997 109.363 169.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 61.4 t90 -106.33 124.96 50.4 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 108.046 -1.094 . . . . 74.140000000000001 108.046 177.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.6 mt -94.38 122.17 36.67 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 108.835 -0.802 . . . . 63.420000000000002 108.835 176.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.663 ' HG ' 'ZN ' ' A' ' 102' ' ' ' ZN' . 27.4 p -66.51 158.95 76.54 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 123.232 0.613 . . . . 64.200000000000003 110.184 170.475 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.81 -18.57 49.7 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.328 2.019 . . . . 74.409999999999997 113.244 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.539 ' HB3' ' SG ' ' A' ' 82' ' ' CYS . 75.4 ttt180 -63.18 -36.16 82.7 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.569 0.748 . . . . 74.420000000000002 111.32 174.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.896 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 45.2 m -77.38 -37.41 52.14 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.452 0.701 . . . . 73.219999999999999 111.807 -176.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.6 t -83.64 -39.0 14.68 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 CA-C-N 115.322 -0.854 . . . . 62.509999999999998 110.43 -174.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -100.02 20.86 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.163 0.585 . . . . 43.130000000000003 110.593 -177.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.96 152.93 43.11 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 121.187 -0.946 . . . . 62.240000000000002 109.493 171.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -85.46 51.19 2.12 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 112.979 0.733 . . . . 72.349999999999994 112.979 -166.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.0 p 42.26 63.67 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 C-N-CA 125.947 1.699 . . . . 75.319999999999993 112.362 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 86.2 p -66.4 -18.41 65.34 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 114.658 -1.156 . . . . 60.130000000000003 111.287 -177.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -141.95 92.94 7.6 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 124.732 1.213 . . . . 74.219999999999999 108.73 176.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.85 89.48 0.53 Allowed 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.377 2.051 . . . . 53.200000000000003 110.736 171.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 CA--C 1.549 0.934 0 N-CA-C 108.846 -0.798 . . . . 70.109999999999999 108.846 -178.75 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.64 'ZN ' ' SG ' ' A' ' 67' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . 0.875 'ZN ' ' HG ' ' A' ' 59' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 CA--C 1.542 0.636 0 N-CA-C 109.48 -0.563 . . . . 71.150000000000006 109.48 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -138.42 136.49 36.31 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.633 0.773 . . . . 74.030000000000001 109.18 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -77.94 88.35 4.12 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.195 0.598 . . . . 71.230000000000004 109.815 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.8 t -121.72 143.54 49.3 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.346 0.658 . . . . 64.010000000000005 109.921 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.65 -64.15 1.27 Allowed Glycine 0 C--N 1.348 1.212 0 N-CA-C 111.66 -0.576 . . . . 74.25 111.66 176.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.17 38.17 91.85 Favored Glycine 0 C--N 1.35 1.349 0 O-C-N 123.981 0.459 . . . . 71.109999999999999 113.225 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.8 p -143.15 114.92 5.86 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 123.596 0.759 . . . . 60.100000000000001 109.962 -177.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.01 82.0 1.6 Allowed 'Trans proline' 0 C--N 1.379 2.15 0 C-N-CA 122.78 2.32 . . . . 64.310000000000002 112.393 177.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.1 mt -83.3 103.1 12.42 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.857 0.863 . . . . 75.200000000000003 109.67 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.88 172.07 18.62 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.104 0.562 . . . . 64.310000000000002 110.933 -174.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 m -81.57 83.42 7.03 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 108.645 -0.872 . . . . 34.329999999999998 108.645 174.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.3 4.91 85.89 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 115.166 -0.925 . . . . 71.209999999999994 113.761 -174.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.4 t -87.51 144.81 26.53 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.382 0.673 . . . . 73.239999999999995 110.452 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.5 m -150.33 90.8 1.69 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.773 0.829 . . . . 75.129999999999995 109.241 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.39 111.81 23.46 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.252 0.621 . . . . 73.430000000000007 110.205 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -146.03 86.06 1.7 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.511 0.724 . . . . 72.129999999999995 109.627 -176.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.5 p -140.77 107.92 5.48 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.82 0.848 . . . . 70.430000000000007 109.113 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -137.35 135.88 37.43 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.172 0.989 . . . . 74.439999999999998 110.013 -175.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 144.85 108.04 0.58 Allowed Glycine 0 C--N 1.344 1.017 0 N-CA-C 111.945 -0.462 . . . . 74.409999999999997 111.945 175.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.82 85.39 1.23 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.089 0.556 . . . . 61.109999999999999 110.392 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.8 m -151.66 99.75 2.63 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.89 0.876 . . . . 64.430000000000007 109.8 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -98.28 175.53 6.03 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.527 0.731 . . . . 72.310000000000002 110.204 173.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -167.89 -158.43 0.25 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.843 1.257 . . . . 75.239999999999995 108.175 174.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? 77.4 97.94 0.07 Allowed 'General case' 0 C--N 1.364 1.203 0 C-N-CA 124.932 1.293 . . . . 73.430000000000007 109.31 175.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 163.61 -17.78 0.13 Allowed Glycine 0 C--N 1.341 0.823 0 CA-C-N 115.723 -0.671 . . . . 62.420000000000002 112.432 -176.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.25 13.55 32.59 Favored Glycine 0 C--N 1.352 1.437 0 N-CA-C 114.025 0.37 . . . . 53.140000000000001 114.025 177.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' O ' ' HD3' ' A' ' 29' ' ' PRO . 10.7 pt-20 -75.79 127.95 84.54 Favored Pre-proline 0 CA--C 1.554 1.108 0 C-N-CA 123.371 0.669 . . . . 64.409999999999997 109.458 172.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -98.32 99.57 0.07 OUTLIER 'Trans proline' 0 C--N 1.373 1.849 0 C-N-CA 123.181 2.587 . . . . 74.040000000000006 112.732 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 6.3 Cg_exo -78.62 139.12 15.77 Favored 'Trans proline' 0 C--N 1.373 1.862 0 C-N-CA 122.458 2.105 . . . . 75.409999999999997 110.972 171.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.25 -20.98 63.03 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 122.987 0.515 . . . . 50.399999999999999 112.036 -176.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 pp -89.49 15.3 9.54 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 113.12 0.785 . . . . 51.409999999999997 113.12 -176.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.0 pt -70.24 -19.99 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 CA-C-N 118.361 0.528 . . . . 74.25 111.07 173.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.9 t -92.34 111.59 24.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 N-CA-C 106.342 -1.725 . . . . 62.310000000000002 106.342 164.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 t70 64.53 87.68 0.12 Allowed Pre-proline 0 N--CA 1.482 1.137 0 C-N-CA 124.542 1.137 . . . . 73.450000000000003 109.429 -168.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -89.55 -11.71 3.33 Favored 'Trans proline' 0 C--N 1.369 1.618 0 C-N-CA 122.968 2.445 . . . . 65.120000000000005 113.955 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.88 -77.88 0.26 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 109.061 -0.718 . . . . 70.200000000000003 109.061 -175.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -171.11 122.9 0.58 Allowed 'General case' 0 C--N 1.357 0.925 0 C-N-CA 123.616 0.767 . . . . 63.439999999999998 110.047 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.457 ' HB3' HG13 ' A' ' 40' ' ' ILE . 36.0 tttt -89.46 41.85 1.06 Allowed 'General case' 0 CA--C 1.557 1.225 0 N-CA-C 107.352 -1.351 . . . . 72.540000000000006 107.352 167.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 56.43 32.81 21.35 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 115.112 -0.949 . . . . 65.340000000000003 110.171 -164.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.457 HG13 ' HB3' ' A' ' 38' ' ' LYS . 59.9 mt -77.42 125.28 37.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 CA-C-N 114.714 -1.13 . . . . 73.510000000000005 109.954 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.579 ' H ' ' HA2' ' A' ' 47' ' ' GLY . 52.3 t -54.84 116.24 2.62 Favored 'General case' 0 C--O 1.241 0.629 0 O-C-N 124.416 1.072 . . . . 60.509999999999998 110.045 176.045 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -65.77 -3.54 5.1 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 125.443 1.497 . . . . 74.120000000000005 112.58 -172.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.4 mt -113.29 -32.37 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.225 0 C-N-CA 124.114 0.966 . . . . 73.530000000000001 110.499 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.813 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 73.8 m -86.15 -23.47 26.55 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 112.925 0.713 . . . . 63.32 112.925 -173.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.5 t30 76.31 -24.24 0.22 Allowed 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 125.007 1.323 . . . . 72.450000000000003 112.761 -178.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -100.9 -44.78 5.65 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.568 0.747 . . . . 74.439999999999998 110.745 -174.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.579 ' HA2' ' H ' ' A' ' 41' ' ' CYS . . . 95.21 -86.07 0.98 Allowed Glycine 0 C--N 1.345 1.065 0 N-CA-C 110.552 -1.019 . . . . 51.329999999999998 110.552 -175.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.1 t70 57.54 -81.96 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 124.707 1.203 . . . . 60.32 113.891 169.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.412 ' O ' ' HB2' ' A' ' 53' ' ' MET . 52.1 t -57.74 94.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.212 0 C-N-CA 124.867 1.267 . . . . 73.099999999999994 110.385 -175.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -80.77 -33.05 35.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.263 1.025 . . . . 62.439999999999998 111.268 -171.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -72.99 -24.36 60.75 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.282 0.845 . . . . 74.349999999999994 113.282 -177.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.1 m -109.04 9.13 26.4 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 118.145 0.429 . . . . 42.109999999999999 110.179 175.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 53.6 ttm -78.08 102.05 7.28 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 123.502 0.721 . . . . 75.400000000000006 109.271 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.7 mt -85.16 137.75 32.82 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.154 0.982 . . . . 64.420000000000002 108.974 176.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -118.14 112.82 20.68 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 106.756 -1.572 . . . . 62.020000000000003 106.756 173.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.513 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 49.5 t -60.37 113.29 2.32 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 123.949 0.781 . . . . 71.319999999999993 109.959 174.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -80.82 -6.21 58.26 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 121.297 0.57 . . . . 75.129999999999995 110.595 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.463 ' O ' ' SG ' ' A' ' 59' ' ' CYS . . . -113.69 30.53 7.14 Favored Glycine 0 C--N 1.346 1.133 0 CA-C-N 115.652 -0.704 . . . . 63.439999999999998 113.815 175.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.638 ' SG ' 'ZN ' ' A' ' 102' ' ' ' ZN' . 85.1 m -165.98 -34.14 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.642 0.777 . . . . 75.439999999999998 110.565 176.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 63.09 70.68 0.54 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.823 1.249 . . . . 63.340000000000003 109.888 -167.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -144.99 139.98 27.86 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 107.547 -1.279 . . . . 43.439999999999998 107.547 172.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.8 p -104.74 124.97 50.33 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.86 0.864 . . . . 71.340000000000003 110.924 -173.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -129.25 -178.43 4.65 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.534 1.134 . . . . 73.099999999999994 109.189 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.691 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 34.5 m170 -115.66 161.28 18.9 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.61 -0.723 . . . . 70.400000000000006 109.842 165.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.64 HG21 HG12 ' A' ' 75' ' ' ILE . 19.4 p -63.26 -46.91 84.69 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.734 1.271 . . . . 64.0 110.859 172.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.448 ' HA ' ' HB3' ' A' ' 71' ' ' PRO . 46.3 p90 -79.29 -17.21 55.09 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.985 0.914 . . . . 73.109999999999999 112.99 -175.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.813 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 95.6 m -71.17 -38.47 72.16 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.955 0.502 . . . . 52.130000000000003 111.051 176.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.9 mt -72.18 146.2 47.54 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 124.077 0.86 . . . . 61.329999999999998 110.18 173.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 pp -128.03 129.11 23.72 Favored Pre-proline 0 N--CA 1.481 1.079 0 CA-C-O 119.412 -0.327 . . . . 70.030000000000001 110.573 175.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -70.73 137.29 45.3 Favored 'Cis proline' 0 C--N 1.382 2.317 0 CA-C-N 119.94 1.014 . . . . 64.230000000000004 112.141 -1.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.448 ' HB3' ' HA ' ' A' ' 66' ' ' PHE . 38.2 Cg_endo -63.77 146.62 92.17 Favored 'Trans proline' 0 C--N 1.376 1.982 0 C-N-CA 123.184 2.589 . . . . 72.019999999999996 113.53 -169.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.1 mt -81.59 89.23 6.2 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.19 0.596 . . . . 61.5 109.522 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.0 p -65.88 -20.98 66.42 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.25 0.62 . . . . 74.450000000000003 111.588 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.2 m -95.67 112.85 24.48 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 107.728 -1.212 . . . . 71.340000000000003 107.728 165.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.64 HG12 HG21 ' A' ' 65' ' ' THR . 35.7 mt -86.88 112.39 46.95 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 123.751 0.82 . . . . 75.129999999999995 109.743 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -57.31 138.69 87.4 Favored 'Trans proline' 0 C--N 1.383 2.357 0 C-N-CA 122.663 2.242 . . . . 51.509999999999998 111.761 172.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -77.12 86.89 3.59 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 122.895 0.478 . . . . 74.349999999999994 109.74 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.36 -75.68 0.81 Allowed Glycine 0 C--N 1.346 1.108 0 CA-C-N 115.28 -0.873 . . . . 32.340000000000003 113.28 177.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -63.02 88.33 0.03 OUTLIER 'General case' 0 C--N 1.351 0.636 0 C-N-CA 124.594 1.157 . . . . 75.219999999999999 109.874 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.418 ' O ' ' HA ' ' A' ' 56' ' ' CYS . 37.1 t90 -106.61 150.8 25.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.966 -1.016 . . . . 73.209999999999994 109.126 174.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.1 mt -113.86 125.71 54.36 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 108.35 -0.981 . . . . 74.299999999999997 108.35 171.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 26.3 p -67.06 164.02 39.55 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 124.054 0.942 . . . . 35.240000000000002 111.547 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -52.36 -26.44 27.68 Favored 'Trans proline' 0 C--N 1.382 2.318 0 C-N-CA 122.642 2.228 . . . . 74.030000000000001 112.503 167.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.584 ' HB2' ' SG ' ' A' ' 82' ' ' CYS . 82.4 mtt-85 -76.43 -19.36 58.16 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.335 1.054 . . . . 74.329999999999998 112.26 177.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.604 ' SG ' 'ZN ' ' A' ' 102' ' ' ' ZN' . 80.0 m -85.0 -39.77 17.66 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.058 0.543 . . . . 62.530000000000001 110.952 171.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.62 -43.21 83.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 CA-C-N 115.241 -0.89 . . . . 75.329999999999998 111.458 -177.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.7 t -106.64 4.52 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 C-N-CA 123.94 0.896 . . . . 73.409999999999997 110.663 -176.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 59.29 176.88 0.08 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.653 1.181 . . . . 54.340000000000003 112.616 -173.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -79.87 94.03 5.76 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.839 -0.8 . . . . 72.439999999999998 108.839 173.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.4 t -82.03 76.4 1.02 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.691 0 N-CA-C 108.486 -0.931 . . . . 64.409999999999997 108.486 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.6 m -61.53 143.22 56.34 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.056 -0.975 . . . . 74.030000000000001 111.135 -176.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -59.65 109.13 1.71 Allowed Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 123.36 0.664 . . . . 75.129999999999995 110.058 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -79.36 72.66 6.4 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 123.022 2.481 . . . . 44.049999999999997 111.37 -174.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 . . . . . 0 C--O 1.251 1.153 0 CA-C-N 115.089 -0.96 . . . . 73.040000000000006 108.495 -177.66 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.739 'ZN ' ' HG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . 0.638 'ZN ' ' SG ' ' A' ' 59' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.4 m . . . . . 0 N--CA 1.486 1.339 0 N-CA-C 111.346 0.128 . . . . 73.099999999999994 111.346 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -75.2 88.94 2.5 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.454 0.701 . . . . 75.25 110.198 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 82.3 mtp -72.04 141.82 49.28 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 109.167 -0.679 . . . . 75.340000000000003 109.167 172.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.7 m -65.71 88.63 0.1 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.079 0.552 . . . . 65.109999999999999 110.433 178.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.9 6.03 62.04 Favored Glycine 0 C--N 1.346 1.102 0 CA-C-N 115.131 -0.94 . . . . 74.439999999999998 113.182 -176.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -77.26 75.1 1.81 Allowed Glycine 0 C--N 1.347 1.181 0 N-CA-C 111.552 -0.619 . . . . 71.120000000000005 111.552 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.5 p -66.41 153.75 92.18 Favored Pre-proline 0 CA--C 1.553 1.082 0 C-N-CA 124.638 1.175 . . . . 71.510000000000005 111.634 -175.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -57.47 102.74 0.12 Allowed 'Trans proline' 0 C--N 1.383 2.355 0 C-N-CA 122.808 2.339 . . . . 73.400000000000006 112.511 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.1 111.97 23.26 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.652 0.781 . . . . 74.540000000000006 110.181 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.34 106.09 7.76 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 107.8 -1.185 . . . . 74.340000000000003 107.8 167.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.431 HG22 HG22 ' A' ' 13' ' ' THR . 5.2 m -73.43 79.58 1.4 Allowed 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 108.297 -1.001 . . . . 74.030000000000001 108.297 176.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.32 38.13 2.89 Favored Glycine 0 C--N 1.349 1.261 0 CA-C-N 115.035 -0.984 . . . . 61.140000000000001 112.432 -176.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.431 HG22 HG22 ' A' ' 11' ' ' THR . 5.7 t -70.41 104.65 2.78 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.861 0.839 . . . . 72.319999999999993 110.013 -177.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.7 p -130.62 135.19 47.63 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 107.789 -1.189 . . . . 73.140000000000001 107.789 172.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.91 22.36 10.3 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.808 0.843 . . . . 74.219999999999999 110.362 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -95.77 23.77 5.95 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.726 1.21 . . . . 75.519999999999996 110.667 -172.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.479 ' HB ' ' HB3' ' A' ' 20' ' ' ALA . 14.4 p -63.81 92.92 0.08 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.902 0.881 . . . . 72.109999999999999 111.339 -175.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -93.7 -44.41 8.17 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.442 1.097 . . . . 72.239999999999995 109.657 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.38 -12.81 61.73 Favored Glycine 0 C--N 1.352 1.456 0 CA-C-N 115.484 -0.78 . . . . 53.130000000000003 113.76 177.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.479 ' HB3' ' HB ' ' A' ' 17' ' ' THR . . . -83.36 18.32 1.84 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.765 0.826 . . . . 73.209999999999994 112.294 178.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.1 m -62.46 102.03 0.29 Allowed 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 108.877 -0.786 . . . . 74.209999999999994 108.877 169.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.92 4.67 1.91 Allowed 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 114.359 1.244 . . . . 72.239999999999995 114.359 -169.072 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -67.4 -47.01 71.54 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.781 0.432 . . . . 53.43 109.849 173.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.35 97.2 0.99 Allowed 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.187 -0.915 . . . . 71.349999999999994 109.557 175.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.72 171.06 14.0 Favored Glycine 0 C--N 1.34 0.787 0 CA-C-N 115.813 -0.63 . . . . 72.140000000000001 111.569 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.13 80.53 1.49 Allowed Glycine 0 C--N 1.337 0.597 0 N-CA-C 111.693 -0.563 . . . . 41.310000000000002 111.693 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -57.04 112.12 4.2 Favored Pre-proline 0 CA--C 1.557 1.228 0 C-N-CA 123.793 0.837 . . . . 61.520000000000003 111.138 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -85.79 145.2 8.9 Favored 'Trans proline' 0 C--N 1.371 1.743 0 C-N-CA 122.299 1.999 . . . . 61.100000000000001 112.987 -174.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -86.32 -157.36 0.08 OUTLIER 'Trans proline' 0 C--N 1.372 1.79 0 C-N-CA 122.843 2.362 . . . . 75.450000000000003 110.108 162.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.64 -16.23 13.29 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 122.135 -0.353 . . . . 64.239999999999995 110.973 171.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.3 mt 74.86 -37.01 0.34 Allowed 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 126.449 1.9 . . . . 63.299999999999997 112.822 -176.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 52.0 mt -69.71 104.61 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 124.025 0.93 . . . . 74.120000000000005 110.071 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.8 t 59.79 45.73 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.132 0 C-N-CA 124.981 1.312 . . . . 75.109999999999999 110.256 -176.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -105.8 105.83 54.49 Favored Pre-proline 0 N--CA 1.471 0.602 0 N-CA-C 108.083 -1.08 . . . . 74.209999999999994 108.083 167.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -66.29 -18.7 55.93 Favored 'Trans proline' 0 C--N 1.376 1.983 0 C-N-CA 123.177 2.585 . . . . 52.439999999999998 112.59 177.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.3 mt 68.28 -69.89 0.14 Allowed 'General case' 0 C--N 1.363 1.153 0 C-N-CA 125.299 1.439 . . . . 71.120000000000005 109.581 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 25.9 ttt -77.26 79.4 3.78 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 122.034 0.921 . . . . 72.120000000000005 109.243 168.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -83.07 -53.88 5.47 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 106.765 -1.568 . . . . 64.329999999999998 106.765 170.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -140.35 -64.47 0.47 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 113.426 -1.715 . . . . 74.340000000000003 108.202 163.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.3 mt 67.2 115.38 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 125.369 1.468 . . . . 74.340000000000003 110.888 -173.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.588 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 30.9 t -79.83 105.95 11.49 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 108.324 -0.991 . . . . 64.200000000000003 108.324 178.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -50.83 -47.51 60.12 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 124.931 1.395 . . . . 75.420000000000002 113.888 -166.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.457 HG13 ' HE1' ' A' ' 63' ' ' TYR . 60.5 mt -60.44 -45.25 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 112.57 0.582 . . . . 53.439999999999998 112.57 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.808 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 30.3 p -101.8 -12.43 18.32 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 112.442 0.534 . . . . 74.420000000000002 112.442 -167.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.5 t30 69.67 -3.97 1.53 Allowed 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.778 1.231 . . . . 61.109999999999999 112.271 -175.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.527 ' HB2' ' HE1' ' A' ' 64' ' ' HIS . 24.1 mmt-85 -76.52 122.09 24.08 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 121.374 -0.829 . . . . 72.109999999999999 109.824 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -118.89 9.08 12.53 Favored Glycine 0 N--CA 1.481 1.678 0 CA-C-O 119.908 -0.384 . . . . 71.329999999999998 113.883 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -93.37 -47.44 6.88 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.313 0.645 . . . . 72.340000000000003 110.898 -175.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 78.7 t -74.81 85.6 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.489 0.661 . . . . 73.439999999999998 110.174 -177.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -77.09 -22.96 51.97 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.824 -0.625 . . . . 64.219999999999999 111.049 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -61.55 -37.1 82.58 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.097 0.959 . . . . 63.310000000000002 113.398 -177.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.5 p -103.8 7.29 37.06 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-N 118.267 0.485 . . . . 74.109999999999999 111.161 176.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 53.4 ttm -85.91 106.65 17.26 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 123.573 0.749 . . . . 75.420000000000002 110.276 -174.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.3 mt -86.32 156.72 20.11 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.785 1.234 . . . . 74.420000000000002 110.061 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.17 138.5 53.57 Favored 'General case' 0 C--O 1.244 0.773 0 N-CA-C 107.036 -1.468 . . . . 43.130000000000003 107.036 175.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 80' ' ' TRP . 52.9 t -71.1 126.48 29.71 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 110.253 -0.277 . . . . 74.019999999999996 110.253 177.111 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.49 ' HB2' ' HB3' ' A' ' 79' ' ' GLU . 12.5 t70 -60.93 -42.72 98.71 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.188 0.995 . . . . 75.510000000000005 110.987 177.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -97.32 22.97 37.92 Favored Glycine 0 C--N 1.35 1.331 0 CA-C-N 115.348 -0.842 . . . . 62.100000000000001 114.3 -173.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 11.4 p -176.83 -159.7 0.06 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.991 0.916 . . . . 62.539999999999999 109.862 175.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -129.46 103.74 7.07 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 123.8 0.84 . . . . 54.509999999999998 108.895 177.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -167.37 153.82 8.1 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 123.36 0.664 . . . . 64.519999999999996 109.222 169.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.0 p -111.52 126.88 55.44 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.762 0.825 . . . . 63.539999999999999 110.994 -178.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.457 ' HE1' HG13 ' A' ' 43' ' ' ILE . 96.9 m-85 -136.99 138.65 40.76 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.464 1.106 . . . . 73.329999999999998 109.093 176.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.74 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 39.6 m80 -84.84 168.25 15.28 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 110.195 -0.298 . . . . 63.009999999999998 110.195 176.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.3 p -60.36 -52.26 66.01 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.206 1.002 . . . . 72.409999999999997 111.326 173.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -72.38 -23.83 61.17 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.047 0.939 . . . . 70.439999999999998 113.14 -176.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.74 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 60.0 m -70.32 -17.92 63.08 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.182 0.593 . . . . 61.350000000000001 112.182 177.306 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.5 mt -107.01 161.44 14.73 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.939 0.896 . . . . 71.25 109.674 177.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.516 HD23 ' H ' ' A' ' 69' ' ' LEU . 1.9 pt? -123.45 125.73 26.01 Favored Pre-proline 0 CA--C 1.552 1.043 0 N-CA-C 108.978 -0.749 . . . . 72.430000000000007 108.978 173.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -77.24 138.54 53.97 Favored 'Cis proline' 0 C--N 1.378 2.124 0 C-N-CA 124.356 -1.101 . . . . 75.519999999999996 112.548 5.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -55.41 101.29 0.08 OUTLIER 'Trans proline' 0 C--N 1.383 2.354 0 C-N-CA 123.006 2.471 . . . . 63.020000000000003 110.881 176.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.6 mt -57.35 114.23 2.1 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.621 1.168 . . . . 61.299999999999997 110.703 -169.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 m -64.05 -19.32 65.13 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.205 1.002 . . . . 73.129999999999995 111.666 -175.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.8 m -149.73 173.72 13.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.715 1.206 . . . . 71.340000000000003 109.377 176.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.4 mm -63.7 126.47 89.82 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 123.582 0.753 . . . . 75.439999999999998 109.965 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -70.43 83.27 0.83 Allowed 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 122.84 2.36 . . . . 73.219999999999999 111.454 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.4 tttt 68.53 -70.57 0.13 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.732 1.613 . . . . 73.219999999999999 111.026 -177.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -164.99 -74.76 0.03 OUTLIER Glycine 0 C--N 1.343 0.939 0 N-CA-C 110.223 -1.151 . . . . 73.319999999999993 110.223 173.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.49 ' HB3' ' HB2' ' A' ' 57' ' ' ASP . 6.9 mp0 -84.34 130.17 34.82 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.696 0.798 . . . . 72.140000000000001 109.024 175.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.47 ' O ' ' HA ' ' A' ' 56' ' ' CYS . 65.2 t90 -103.53 139.59 38.66 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.664 0.786 . . . . 72.319999999999993 109.871 -179.021 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.436 HD23 ' HB3' ' A' ' 57' ' ' ASP . 95.3 mt -94.79 128.61 41.64 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.883 0.873 . . . . 70.310000000000002 109.719 175.165 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 31.4 p -67.51 158.17 83.36 Favored Pre-proline 0 N--CA 1.476 0.867 0 CA-C-O 119.166 -0.445 . . . . 73.030000000000001 110.395 174.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -50.68 -31.92 34.13 Favored 'Trans proline' 0 C--N 1.383 2.364 0 C-N-CA 122.961 2.44 . . . . 72.200000000000003 114.16 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.509 ' NH2' ' HB ' ' A' ' 87' ' ' VAL . 6.2 tpm_? -74.78 -30.27 61.39 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.416 0.686 . . . . 63.130000000000003 111.071 177.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 89.9 m -74.61 -33.51 62.62 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.419 0.688 . . . . 74.409999999999997 111.395 175.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.4 t -50.13 -55.85 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.677 0.791 . . . . 62.32 110.592 173.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.509 ' HB ' ' NH2' ' A' ' 84' ' ' ARG . 22.0 t -91.78 74.51 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.766 0 N-CA-C 108.212 -1.033 . . . . 75.540000000000006 108.212 169.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -63.55 151.78 40.49 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 113.732 -1.576 . . . . 75.120000000000005 110.631 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -79.03 123.52 27.39 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.94 -0.392 . . . . 75.010000000000005 109.94 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 13.9 p -105.25 -34.35 3.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 123.845 0.858 . . . . 72.430000000000007 110.572 -177.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.7 t -125.74 115.51 20.17 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.396 0.678 . . . . 63.310000000000002 110.048 -171.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.0 tttt 72.24 98.48 0.04 OUTLIER Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 125.428 1.491 . . . . 73.129999999999995 111.796 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.23 105.33 0.84 Allowed 'Trans proline' 0 C--N 1.372 1.789 0 C-N-CA 122.164 1.909 . . . . 73.219999999999999 109.772 161.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 . . . . . 0 CA--C 1.549 0.92 0 C-N-CA 124.329 1.052 . . . . 72.349999999999994 110.846 -176.873 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.808 'ZN ' ' HG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 109.549 -0.537 . . . . 72.209999999999994 109.549 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -121.47 152.03 39.58 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.589 -0.893 . . . . 64.299999999999997 108.589 175.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.4 mtt -114.91 70.98 0.75 Allowed 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 108.659 -0.867 . . . . 74.129999999999995 108.659 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.5 t -70.74 94.84 1.06 Allowed 'General case' 0 C--O 1.246 0.892 0 CA-C-N 114.988 -1.006 . . . . 71.219999999999999 109.996 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 156.05 -153.9 25.1 Favored Glycine 0 C--N 1.341 0.86 0 CA-C-N 115.052 -0.976 . . . . 51.049999999999997 111.318 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.0 3.96 67.46 Favored Glycine 0 C--N 1.343 0.964 0 CA-C-O 119.922 -0.377 . . . . 65.329999999999998 112.926 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.8 t -78.23 122.09 84.77 Favored Pre-proline 0 C--N 1.352 0.714 0 C-N-CA 123.481 0.712 . . . . 63.229999999999997 109.106 176.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -81.55 56.99 6.18 Favored 'Trans proline' 0 C--N 1.37 1.67 0 C-N-CA 122.461 2.108 . . . . 61.240000000000002 111.239 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.536 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.0 pt? -66.55 82.89 0.1 Allowed 'General case' 0 CA--C 1.553 1.092 0 CA-C-O 122.526 1.155 . . . . 71.030000000000001 111.928 -172.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.55 82.11 1.59 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 114.864 -1.062 . . . . 30.43 108.368 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -100.56 131.96 46.2 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.391 0.676 . . . . 72.439999999999998 109.393 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.48 60.06 0.01 OUTLIER Glycine 0 C--N 1.343 0.958 0 CA-C-N 115.757 -0.656 . . . . 72.019999999999996 111.525 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.9 p -71.59 88.06 0.93 Allowed 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.326 0.65 . . . . 62.130000000000003 109.764 174.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.3 t -77.73 115.7 17.69 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.705 -0.68 . . . . 71.340000000000003 109.916 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -164.3 155.65 15.79 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 123.795 0.838 . . . . 62.539999999999999 110.67 -177.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.3 p30 -158.77 149.21 19.83 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.023 0.929 . . . . 55.340000000000003 109.985 168.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 t -91.27 125.24 35.98 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 107.852 -1.166 . . . . 62.549999999999997 107.852 171.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -150.79 154.15 36.77 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.812 0.445 . . . . 70.450000000000003 111.211 -172.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 149.58 162.66 10.55 Favored Glycine 0 C--N 1.336 0.54 0 CA-C-N 115.06 -0.973 . . . . 34.32 110.802 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.15 97.97 1.27 Allowed 'General case' 0 C--O 1.242 0.683 0 C-N-CA 123.202 0.601 . . . . 74.129999999999995 109.582 176.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.9 m -79.77 75.13 6.47 Favored 'General case' 0 C--O 1.243 0.755 0 C-N-CA 123.503 0.721 . . . . 73.239999999999995 109.809 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.63 117.41 11.2 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 107.725 -1.213 . . . . 72.340000000000003 107.725 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -58.21 102.94 0.12 Allowed 'General case' 0 CA--C 1.551 0.995 0 O-C-N 124.112 0.883 . . . . 74.319999999999993 110.098 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -67.8 138.73 56.37 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.16 -0.927 . . . . 74.340000000000003 109.832 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.86 127.27 0.39 Allowed Glycine 0 CA--C 1.536 1.382 0 O-C-N 123.416 0.448 . . . . 72.120000000000005 112.755 -175.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.62 -95.2 0.1 Allowed Glycine 0 C--N 1.337 0.637 0 N-CA-C 110.353 -1.099 . . . . 70.200000000000003 110.353 177.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 63.34 120.68 0.02 OUTLIER Pre-proline 0 N--CA 1.492 1.646 0 C-N-CA 125.062 1.345 . . . . 64.140000000000001 113.709 169.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -62.44 138.89 73.56 Favored 'Trans proline' 0 C--N 1.381 2.288 0 C-N-CA 123.371 2.714 . . . . 75.030000000000001 112.145 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -61.01 107.49 0.46 Allowed 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.97 2.447 . . . . 63.119999999999997 112.017 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 64.64 -171.37 0.18 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.387 1.475 . . . . 73.549999999999997 111.543 -177.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.577 HD23 ' H ' ' A' ' 31' ' ' LEU . 2.7 pt? -95.26 9.63 39.08 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.415 0.686 . . . . 63.409999999999997 111.411 178.042 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp 61.55 91.96 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.701 1.201 . . . . 64.420000000000002 108.349 -167.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.1 m -76.3 -27.09 17.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 115.275 -0.875 . . . . 75.239999999999995 111.749 -172.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -161.67 120.68 1.45 Allowed Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 116.115 -0.493 . . . . 71.430000000000007 111.318 -172.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -106.66 -3.88 0.13 Allowed 'Trans proline' 0 CA--C 1.564 2.009 0 C-N-CA 123.526 2.817 . . . . 74.310000000000002 115.214 166.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.7 mt -119.77 -7.41 10.03 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 113.615 0.969 . . . . 75.120000000000005 113.615 -166.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.6 tmm? 69.3 79.51 0.2 Allowed 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.079 1.352 . . . . 64.0 108.95 -170.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -90.9 51.37 1.95 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.685 0.794 . . . . 73.549999999999997 109.594 177.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 55.76 71.32 0.56 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.414 1.086 . . . . 75.430000000000007 111.117 178.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.5 mt -117.24 149.31 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.541 1.137 . . . . 51.420000000000002 109.85 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 53.5 t -62.17 115.68 4.34 Favored 'General case' 0 C--N 1.359 1.022 0 C-N-CA 123.803 0.841 . . . . 60.43 109.508 178.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -65.51 -19.69 66.03 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 124.61 1.194 . . . . 52.43 111.375 -175.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.2 mt -84.45 -38.91 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 C-N-CA 123.868 0.867 . . . . 74.409999999999997 109.927 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.795 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 53.8 m -88.1 -31.42 19.23 Favored 'General case' 0 C--O 1.252 1.212 0 N-CA-C 113.14 0.793 . . . . 52.439999999999998 113.14 -170.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 76.87 -43.72 0.45 Allowed 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 125.762 1.625 . . . . 75.239999999999995 111.266 -174.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -87.14 140.65 29.34 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.938 0.495 . . . . 73.540000000000006 109.8 170.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -124.45 45.9 1.14 Allowed Glycine 0 N--CA 1.472 1.052 0 CA-C-N 116.354 -0.385 . . . . 70.329999999999998 113.17 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.78 -54.1 40.5 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.355 0.662 . . . . 75.340000000000003 110.513 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.4 t -79.3 77.6 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-O 121.916 0.865 . . . . 75.310000000000002 109.2 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -75.99 -18.16 59.41 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 114.771 -1.104 . . . . 74.120000000000005 110.804 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -58.69 -35.06 72.02 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.106 0.562 . . . . 72.349999999999994 112.329 175.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 m -100.04 15.2 28.07 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.28 0.632 . . . . 72.129999999999995 111.582 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 41.9 tpp -81.72 111.72 18.23 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 109.266 -0.642 . . . . 75.409999999999997 109.266 -177.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 73.6 mt -93.97 130.3 40.13 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.847 -0.798 . . . . 71.349999999999994 108.847 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -100.04 119.06 37.7 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.56 -1.274 . . . . 53.509999999999998 107.56 177.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.44 ' HB3' ' HB2' ' A' ' 59' ' ' CYS . 43.7 t -70.16 106.56 3.33 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 108.966 -0.753 . . . . 64.409999999999997 108.966 174.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -58.43 -31.59 67.89 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.842 1.257 . . . . 74.230000000000004 111.086 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.45 32.47 6.21 Favored Glycine 0 C--N 1.347 1.153 0 CA-C-N 115.4 -0.818 . . . . 73.310000000000002 113.191 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.44 ' HB2' ' HB3' ' A' ' 56' ' ' CYS . 72.8 m -152.22 -91.67 0.05 Allowed 'General case' 0 CA--C 1.562 1.417 0 C-N-CA 123.933 0.893 . . . . 74.209999999999994 110.876 174.315 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.0 t70 143.27 -26.99 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 126.55 1.94 . . . . 75.219999999999999 108.585 -157.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.86 158.8 33.83 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.667 0.787 . . . . 71.25 110.663 -178.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.2 m -130.33 142.18 50.55 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.748 0.819 . . . . 71.030000000000001 110.379 -177.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -144.11 139.15 28.7 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.769 1.228 . . . . 74.530000000000001 108.788 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.637 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 45.2 m170 -72.55 146.65 46.59 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 118.261 0.482 . . . . 71.400000000000006 110.102 172.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 17.9 p -50.52 -55.64 15.17 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 124.339 1.024 . . . . 73.329999999999998 111.225 172.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -78.24 -12.9 60.03 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.586 -1.188 . . . . 62.149999999999999 113.767 -171.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.795 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 65.9 m -90.32 -21.77 21.87 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.096 0.558 . . . . 73.239999999999995 111.624 -177.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.7 mt -73.92 161.85 29.69 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.514 0.726 . . . . 74.129999999999995 110.076 174.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.1 mt -121.83 123.44 27.41 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 108.923 -0.769 . . . . 64.0 108.923 173.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -73.89 138.97 58.87 Favored 'Cis proline' 0 C--N 1.389 2.669 0 CA-C-N 119.882 0.994 . . . . 71.120000000000005 111.767 -5.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.96 134.84 64.95 Favored 'Trans proline' 0 C--N 1.38 2.187 0 C-N-CA 122.943 2.429 . . . . 73.450000000000003 112.315 -178.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.4 ' O ' ' HB ' ' A' ' 65' ' ' THR . 53.5 mt -86.58 117.63 25.47 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 107.828 -1.175 . . . . 50.039999999999999 107.828 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 m -72.33 -16.64 61.88 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 123.286 0.635 . . . . 70.010000000000005 111.542 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 56.4 p -138.26 148.08 44.33 Favored 'General case' 0 C--O 1.244 0.79 0 C-N-CA 124.16 0.984 . . . . 54.43 110.171 -173.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.625 HG22 ' H ' ' A' ' 77' ' ' LYS . 70.6 mt -91.58 129.36 43.02 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 124.587 1.155 . . . . 73.409999999999997 109.079 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.46 -5.91 16.3 Favored 'Trans proline' 0 C--N 1.384 2.436 0 C-N-CA 123.085 2.523 . . . . 63.329999999999998 113.956 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.625 ' H ' HG22 ' A' ' 75' ' ' ILE . 97.1 mttt 53.9 13.66 0.57 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 125.916 1.686 . . . . 65.519999999999996 115.123 178.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.34 -125.76 0.8 Allowed Glycine 0 C--N 1.342 0.907 0 CA-C-O 119.187 -0.785 . . . . 73.340000000000003 111.24 -178.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -63.79 101.52 0.37 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.663 0.785 . . . . 64.450000000000003 111.319 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -112.32 143.03 44.1 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 107.834 -1.173 . . . . 75.120000000000005 107.834 169.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.9 mt -118.34 134.56 54.94 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.813 -0.81 . . . . 64.030000000000001 108.813 177.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 84' ' ' ARG . 28.1 p -67.23 157.07 86.51 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 123.51 0.724 . . . . 63.210000000000001 110.64 175.11 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.42 ' O ' HG23 ' A' ' 87' ' ' VAL . 81.8 Cg_exo -50.21 -32.7 33.41 Favored 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 122.649 2.233 . . . . 72.140000000000001 113.171 172.377 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.433 ' HB3' ' SG ' ' A' ' 82' ' ' CYS . 57.2 ttm-85 -62.21 -37.49 85.52 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.996 0.918 . . . . 74.019999999999996 111.521 177.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 78.5 m -64.53 -32.21 73.76 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 120.99 0.424 . . . . 73.430000000000007 111.686 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.6 t -76.66 -37.03 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 CA-C-N 115.341 -0.845 . . . . 74.319999999999993 110.613 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 83' ' ' PRO . 86.9 t -63.74 -51.3 71.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 123.454 0.701 . . . . 64.310000000000002 111.118 177.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.93 -14.84 62.91 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 116.044 -0.525 . . . . 72.200000000000003 111.319 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 77.99 143.43 0.08 Allowed 'General case' 0 C--N 1.361 1.1 0 C-N-CA 125.933 1.693 . . . . 70.510000000000005 110.833 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 44.7 t -78.73 121.48 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 108.337 -0.986 . . . . 74.109999999999999 108.337 173.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.1 t -62.72 117.2 5.97 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 123.705 0.628 . . . . 73.409999999999997 111.213 -174.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.26 155.05 42.96 Favored Pre-proline 0 N--CA 1.475 0.786 0 C-N-CA 124.059 0.944 . . . . 53.32 109.816 178.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.05 155.4 69.78 Favored 'Trans proline' 0 C--N 1.369 1.623 0 C-N-CA 121.894 1.73 . . . . 53.100000000000001 111.774 169.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.583 -0.735 . . . . 62.32 109.184 176.361 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.704 'ZN ' ' HG ' ' A' ' 67' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 110.074 -0.343 . . . . 71.0 110.074 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -76.62 87.27 3.29 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.12 0.568 . . . . 74.150000000000006 110.216 176.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 46.3 ttp -94.85 10.58 34.76 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 124.021 0.928 . . . . 75.129999999999995 110.023 174.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.3 m -70.91 86.11 0.7 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.111 0.964 . . . . 51.210000000000001 110.808 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 168.19 -149.18 13.7 Favored Glycine 0 N--CA 1.465 0.571 0 N-CA-C 110.993 -0.843 . . . . 54.109999999999999 110.993 -176.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.19 32.35 83.83 Favored Glycine 0 C--N 1.35 1.336 0 C-N-CA 122.906 0.288 . . . . 51.409999999999997 112.753 -177.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.9 p -104.64 96.08 9.8 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 123.993 0.917 . . . . 73.430000000000007 109.259 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -73.15 87.56 1.03 Allowed 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 123.136 2.557 . . . . 62.32 112.699 -173.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 pp -96.16 126.45 41.39 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.352 0.661 . . . . 63.43 109.378 174.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.17 159.72 7.56 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.659 0.784 . . . . 63.119999999999997 109.973 177.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 t -164.08 167.08 20.72 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.816 0.846 . . . . 65.409999999999997 109.891 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.51 135.24 8.75 Favored Glycine 0 C--N 1.342 0.91 0 N-CA-C 111.941 -0.464 . . . . 74.420000000000002 111.941 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 t -135.3 158.77 43.51 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.785 0.834 . . . . 70.239999999999995 110.274 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.6 m -134.54 76.98 1.67 Allowed 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 107.51 -1.293 . . . . 75.519999999999996 107.51 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -152.06 85.43 1.28 Allowed 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.965 -0.561 . . . . 72.129999999999995 110.868 -175.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -157.24 12.04 0.22 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.878 0.871 . . . . 72.450000000000003 110.751 174.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.4 m -79.12 117.52 20.24 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.718 0.807 . . . . 74.299999999999997 110.114 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -161.15 155.02 22.32 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.217 1.007 . . . . 72.150000000000006 109.854 -175.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.46 119.13 3.11 Favored Glycine 0 N--CA 1.475 1.241 0 CA-C-O 119.75 -0.472 . . . . 41.509999999999998 112.954 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.1 101.81 1.26 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.097 0.959 . . . . 62.109999999999999 109.482 176.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.8 t -156.23 114.55 3.36 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.044 0.538 . . . . 63.229999999999997 110.594 -177.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -163.0 92.36 0.76 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.129 0.972 . . . . 64.209999999999994 108.736 167.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -144.57 148.14 34.04 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.231 1.012 . . . . 72.400000000000006 109.463 173.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? -165.65 -171.24 2.03 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.641 1.176 . . . . 72.120000000000005 109.738 173.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.08 107.46 0.86 Allowed Glycine 0 C--N 1.348 1.202 0 N-CA-C 111.726 -0.55 . . . . 53.109999999999999 111.726 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.5 68.13 0.04 OUTLIER Glycine 0 C--N 1.339 0.744 0 N-CA-C 111.295 -0.722 . . . . 51.109999999999999 111.295 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -103.58 96.06 8.23 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 123.852 0.861 . . . . 72.040000000000006 108.888 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -83.16 145.01 12.06 Favored 'Trans proline' 0 C--N 1.371 1.715 0 C-N-CA 122.325 2.017 . . . . 75.010000000000005 112.287 -176.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.55 89.45 0.1 OUTLIER 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.204 1.936 . . . . 73.310000000000002 109.828 163.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.15 79.19 3.68 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.936 0.894 . . . . 64.099999999999994 111.455 -168.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.4 mt 58.57 100.53 0.02 OUTLIER 'General case' 0 C--N 1.363 1.153 0 C-N-CA 125.548 1.539 . . . . 75.310000000000002 111.261 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mp -74.66 81.86 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 N-CA-C 108.235 -1.024 . . . . 53.32 108.235 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.6 m -119.86 12.19 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.161 1.384 . . . . 71.25 108.903 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -137.46 40.88 0.49 Allowed Pre-proline 0 CA--C 1.567 1.632 0 C-N-CA 124.413 1.085 . . . . 63.039999999999999 111.734 -176.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -73.76 -13.93 24.36 Favored 'Trans proline' 0 C--N 1.396 3.027 0 C-N-CA 122.022 1.815 . . . . 70.030000000000001 113.533 -171.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tt -137.13 73.68 1.45 Allowed 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 107.842 -1.169 . . . . 73.049999999999997 107.842 177.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.2 ptp -176.85 -175.02 0.58 Allowed 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.788 1.235 . . . . 72.430000000000007 108.819 174.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp 56.55 67.98 0.92 Allowed 'General case' 0 C--N 1.361 1.075 0 N-CA-C 108.264 -1.013 . . . . 65.420000000000002 108.264 -174.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -57.88 99.89 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 114.196 -1.365 . . . . 74.540000000000006 112.818 -164.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.7 mt -73.11 131.69 34.51 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 CA-C-N 114.677 -1.147 . . . . 55.409999999999997 109.227 177.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.461 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 48.1 t -71.72 131.25 42.86 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 108.909 -0.774 . . . . 72.329999999999998 108.909 175.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -75.83 -9.21 58.41 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 122.676 0.39 . . . . 55.439999999999998 111.472 -175.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.8 mt -113.6 -44.59 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 123.668 0.787 . . . . 60.299999999999997 110.143 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 34.0 m -96.37 -27.43 14.94 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.431 0.692 . . . . 60.130000000000003 112.493 -171.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 75.55 -54.67 0.63 Allowed 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 125.547 1.539 . . . . 72.120000000000005 111.648 -169.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -90.84 116.9 29.03 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.149 0.58 . . . . 72.239999999999995 109.974 -172.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.81 72.7 1.41 Allowed Glycine 0 C--N 1.34 0.754 0 CA-C-N 116.032 -0.531 . . . . 72.129999999999995 112.315 177.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.89 -59.43 4.19 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.513 0.725 . . . . 73.140000000000001 109.319 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.4 t -88.02 84.1 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 115.021 -0.991 . . . . 73.010000000000005 108.563 172.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.29 -18.22 63.11 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 115.608 -0.723 . . . . 74.510000000000005 110.235 176.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -61.84 -36.39 81.03 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.093 0.957 . . . . 75.420000000000002 110.97 178.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.0 m -96.39 1.39 51.7 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.277 0.631 . . . . 73.109999999999999 110.888 -177.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 47.0 ttm -79.63 106.58 11.76 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 121.008 0.433 . . . . 70.109999999999999 110.008 -177.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.577 ' HB3' ' HB3' ' A' ' 80' ' ' TRP . 23.3 mt -86.22 135.77 33.44 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 125.226 1.41 . . . . 71.409999999999997 109.439 175.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -102.58 123.69 46.77 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.309 0.644 . . . . 74.549999999999997 110.393 -177.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 42.2 t -76.64 107.08 8.68 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 123.743 0.652 . . . . 73.120000000000005 109.74 175.421 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -54.61 -44.8 73.42 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.232 1.013 . . . . 74.519999999999996 111.118 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.22 42.91 1.82 Allowed Glycine 0 C--N 1.342 0.907 0 CA-C-N 115.577 -0.738 . . . . 64.230000000000004 113.455 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.828 ' HG ' 'ZN ' ' A' ' 102' ' ' ' ZN' . 87.4 m -157.18 -169.87 3.08 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.68 1.192 . . . . 63.109999999999999 108.628 169.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -108.67 4.41 23.83 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.396 1.078 . . . . 74.409999999999997 109.363 174.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.41 150.35 21.12 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 124.262 1.025 . . . . 75.409999999999997 111.246 -163.12 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.0 m -128.05 133.6 49.1 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.139 0.975 . . . . 74.329999999999998 108.718 173.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.428 ' HB2' ' HZ3' ' A' ' 80' ' ' TRP . 44.1 m-85 -127.26 151.71 48.37 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 107.847 -1.168 . . . . 73.450000000000003 107.847 178.158 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.506 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 43.1 m80 -89.69 161.93 15.84 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 107.879 -1.156 . . . . 72.150000000000006 107.879 170.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.603 HG21 HG12 ' A' ' 75' ' ' ILE . 42.2 p -59.56 -34.53 72.79 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 121.456 0.646 . . . . 63.420000000000002 110.066 175.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -105.24 30.82 5.32 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.02 0.928 . . . . 75.230000000000004 111.782 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 49.1 m -96.0 -4.86 42.41 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.257 0.623 . . . . 73.040000000000006 110.816 170.524 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.8 mt -111.13 162.24 15.12 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.211 0.604 . . . . 72.519999999999996 110.808 -170.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.8 mt -130.1 111.25 16.94 Favored Pre-proline 0 CA--C 1.558 1.278 0 C-N-CA 124.094 0.958 . . . . 72.319999999999993 109.468 176.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.61 147.19 88.76 Favored 'Cis proline' 0 C--N 1.375 1.946 0 CA-C-N 120.068 1.06 . . . . 51.210000000000001 111.701 -5.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.31 152.83 61.52 Favored 'Trans proline' 0 C--N 1.369 1.638 0 C-N-CA 122.969 2.446 . . . . 61.520000000000003 112.79 -173.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.439 ' O ' ' HB ' ' A' ' 65' ' ' THR . 51.2 mt -73.81 87.12 1.73 Allowed 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 108.612 -0.884 . . . . 71.25 108.612 172.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.4 p -65.76 -23.98 66.85 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.914 0.886 . . . . 72.150000000000006 110.98 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.2 m -104.79 132.48 50.98 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 124.009 0.924 . . . . 72.219999999999999 108.671 167.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.603 HG12 HG21 ' A' ' 65' ' ' THR . 55.9 mt -72.56 127.18 90.31 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 123.296 0.638 . . . . 74.340000000000003 109.376 174.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -66.4 -166.13 0.1 Allowed 'Trans proline' 0 C--N 1.374 1.9 0 C-N-CA 123.13 2.553 . . . . 71.409999999999997 113.753 177.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -82.16 79.74 8.57 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.58 0.752 . . . . 71.340000000000003 110.825 -171.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.36 -108.16 2.32 Favored Glycine 0 C--N 1.35 1.311 0 N-CA-C 111.871 -0.492 . . . . 51.130000000000003 111.871 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -76.71 156.68 32.32 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.296 0.638 . . . . 73.239999999999995 109.311 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.577 ' HB3' ' HB3' ' A' ' 54' ' ' LEU . 43.8 t90 -149.23 131.61 15.63 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.362 0.665 . . . . 73.310000000000002 110.02 -170.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.9 mt -76.19 133.51 40.15 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.322 0.649 . . . . 55.43 110.097 176.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 26.8 p -55.71 151.04 23.89 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 123.745 0.818 . . . . 72.329999999999998 110.611 174.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.471 ' O ' HG23 ' A' ' 87' ' ' VAL . 31.2 Cg_exo -58.75 -27.29 83.14 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.761 2.308 . . . . 73.109999999999999 112.213 -176.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -62.99 -38.34 90.78 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.978 1.311 . . . . 75.450000000000003 111.257 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 78.0 m -68.14 -35.05 77.46 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 123.257 0.623 . . . . 70.530000000000001 110.902 174.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.4 t -74.94 -34.65 33.32 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 C-N-CA 123.414 0.685 . . . . 75.540000000000006 111.047 -175.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 83' ' ' PRO . 99.1 t -62.31 -37.81 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 C-N-CA 123.625 0.77 . . . . 62.219999999999999 110.145 175.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -84.57 146.56 27.47 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.32 -0.855 . . . . 70.450000000000003 110.976 177.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -73.23 172.96 10.16 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.375 0.67 . . . . 74.340000000000003 111.162 174.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 39.3 t 54.99 75.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.904 0 C-N-CA 124.81 1.244 . . . . 62.329999999999998 108.984 -168.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.8 t -154.6 176.72 12.06 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.557 -0.747 . . . . 72.430000000000007 110.081 -174.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -118.14 90.86 38.81 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 123.938 0.895 . . . . 72.329999999999998 109.138 176.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -92.68 -161.69 0.09 OUTLIER 'Trans proline' 0 C--N 1.37 1.68 0 C-N-CA 123.277 2.651 . . . . 71.019999999999996 111.149 170.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 123.383 0.673 . . . . 65.450000000000003 109.412 178.636 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . 0.828 'ZN ' ' HG ' ' A' ' 59' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.2 m . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 110.377 -0.231 . . . . 62.350000000000001 110.377 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -64.53 113.31 3.61 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 123.222 0.609 . . . . 72.319999999999993 110.195 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 67.2 mtm -90.38 168.19 12.06 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.592 0.757 . . . . 61.530000000000001 109.783 173.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.0 m -73.5 72.31 1.37 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.777 0.831 . . . . 70.430000000000007 110.607 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.31 -82.54 0.19 Allowed Glycine 0 C--N 1.345 1.038 0 CA-C-N 116.083 -0.508 . . . . 73.319999999999993 113.22 -175.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.5 -136.87 12.93 Favored Glycine 0 C--N 1.34 0.8 0 N-CA-C 111.011 -0.835 . . . . 54.399999999999999 111.011 -173.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.9 p -169.95 144.56 2.27 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 123.417 0.687 . . . . 75.230000000000004 110.006 176.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.72 -156.16 0.05 OUTLIER 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.922 2.414 . . . . 65.230000000000004 112.644 175.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 pp -143.0 179.31 7.11 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.201 0.6 . . . . 65.519999999999996 110.605 177.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.66 116.81 10.01 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 108.676 -0.861 . . . . 64.010000000000005 108.676 177.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.1 p -88.78 -33.68 17.37 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.102 0.561 . . . . 63.350000000000001 110.541 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.82 57.98 4.83 Favored Glycine 0 C--N 1.348 1.242 0 CA-C-N 115.663 -0.699 . . . . 64.420000000000002 112.901 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.0 t -151.95 111.41 3.94 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 123.903 0.881 . . . . 64.120000000000005 109.147 175.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.5 t -127.81 151.95 48.39 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.761 0.825 . . . . 62.520000000000003 109.876 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.19 87.25 3.04 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.532 0.733 . . . . 72.230000000000004 111.276 -173.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -124.88 128.41 48.62 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.103 -0.953 . . . . 74.450000000000003 108.583 170.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t -159.6 158.44 31.64 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.287 0.635 . . . . 70.420000000000002 110.037 -177.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -128.63 96.46 4.4 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.513 0.725 . . . . 74.129999999999995 109.63 176.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -127.25 61.76 0.64 Allowed Glycine 0 C--N 1.344 1.02 0 CA-C-N 115.756 -0.656 . . . . 74.209999999999994 111.518 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.81 136.63 51.02 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.28 0.632 . . . . 75.200000000000003 110.965 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 87.8 p -123.18 162.11 23.17 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.396 0.679 . . . . 43.520000000000003 110.665 -177.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -127.18 91.39 3.31 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.591 0.757 . . . . 75.439999999999998 109.488 176.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -93.88 126.27 38.98 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 109.119 -0.697 . . . . 63.450000000000003 109.119 174.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -100.82 146.09 27.73 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.957 0.503 . . . . 62.43 110.004 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.01 -73.87 0.71 Allowed Glycine 0 C--N 1.347 1.14 0 O-C-N 124.071 0.857 . . . . 62.549999999999997 112.117 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 60.08 49.01 83.23 Favored Glycine 0 C--N 1.354 1.549 0 N-CA-C 111.756 -0.538 . . . . 73.299999999999997 111.756 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -104.31 103.69 40.3 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 124.332 1.053 . . . . 63.520000000000003 111.197 -169.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -78.29 127.14 8.11 Favored 'Trans proline' 0 C--N 1.369 1.648 0 C-N-CA 122.168 1.912 . . . . 41.409999999999997 109.931 162.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -60.11 164.72 11.85 Favored 'Trans proline' 0 C--N 1.372 1.794 0 C-N-CA 122.567 2.178 . . . . 63.229999999999997 113.015 174.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.45 172.12 1.26 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.466 0.707 . . . . 74.409999999999997 112.386 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.7 mt -71.9 -165.32 0.16 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.188 0.595 . . . . 74.349999999999994 111.367 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.1 mt 66.88 29.4 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 CA-C-O 122.58 1.181 . . . . 74.230000000000004 108.92 -172.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.8 m -92.07 61.47 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 115.089 -0.96 . . . . 74.409999999999997 109.274 176.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -126.62 86.13 59.12 Favored Pre-proline 0 CA--C 1.548 0.882 0 CA-C-N 115.037 -0.983 . . . . 63.020000000000003 110.046 -173.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -85.73 -25.21 1.61 Allowed 'Trans proline' 0 C--N 1.368 1.592 0 C-N-CA 122.529 2.153 . . . . 62.43 112.717 175.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.4 tp -93.09 -13.13 28.94 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.977 0.911 . . . . 71.140000000000001 111.04 -174.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.3 tpt -78.59 0.35 26.67 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 123.218 0.607 . . . . 74.319999999999993 111.281 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -63.98 130.99 46.25 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.746 -0.596 . . . . 73.219999999999999 109.61 172.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -58.82 104.83 0.26 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.805 0.842 . . . . 62.399999999999999 113.042 -167.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.9 mm -93.15 148.43 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.672 1.189 . . . . 74.310000000000002 109.693 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 23.1 t -73.65 109.22 6.99 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 107.854 -1.165 . . . . 73.230000000000004 107.854 169.093 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -54.26 -49.31 69.84 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 124.528 1.142 . . . . 63.420000000000002 111.369 -170.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 62.0 mt -58.27 -34.54 50.29 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.426 0 C-N-CA 124.479 1.112 . . . . 74.099999999999994 112.563 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 94.8 m -85.42 -33.21 21.98 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-O 119.115 -0.469 . . . . 65.120000000000005 111.783 -177.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.5 t30 65.32 14.51 9.47 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 124.784 1.302 . . . . 61.020000000000003 110.456 -166.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -130.11 146.64 51.78 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 125.272 1.429 . . . . 71.409999999999997 109.806 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -118.39 30.33 6.04 Favored Glycine 0 N--CA 1.467 0.75 0 CA-C-N 115.755 -0.657 . . . . 63.229999999999997 111.494 171.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.2 -55.14 20.24 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.069 0.948 . . . . 73.329999999999998 110.3 -174.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.6 t -97.34 65.55 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 CA-C-O 121.836 0.827 . . . . 71.129999999999995 108.896 176.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 53' ' ' MET . 8.8 pt-20 -71.07 -19.36 62.49 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 115.478 -0.783 . . . . 51.219999999999999 112.11 -177.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.88 -28.9 70.35 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 120.992 0.425 . . . . 74.319999999999993 111.09 175.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.3 t -105.02 17.24 24.47 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.524 -0.762 . . . . 71.329999999999998 111.837 -174.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.594 ' HA ' ' HA ' ' A' ' 64' ' ' HIS . 16.5 ptp -98.2 133.14 43.04 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 121.129 0.49 . . . . 61.409999999999997 109.714 170.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.5 mp -105.68 139.0 40.93 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 107.296 -1.372 . . . . 52.130000000000003 107.296 172.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 45.6 tp -101.18 121.15 41.33 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 108.345 -0.983 . . . . 71.409999999999997 108.345 -178.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 43.4 t -63.05 115.76 4.72 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 123.618 0.767 . . . . 63.310000000000002 111.083 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.94 -27.42 65.72 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.517 0.727 . . . . 64.200000000000003 110.374 175.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.11 2.0 77.72 Favored Glycine 0 CA--C 1.54 1.594 0 N-CA-C 114.962 0.745 . . . . 41.530000000000001 114.962 178.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 27.6 p -160.04 -155.31 0.43 Allowed 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.976 0.91 . . . . 63.450000000000003 109.732 176.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -108.04 -14.37 14.75 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.65 0.78 . . . . 71.450000000000003 111.516 -177.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -87.88 145.56 26.0 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 112.687 0.625 . . . . 71.140000000000001 112.687 -163.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.8 t -102.12 132.63 47.89 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.422 1.089 . . . . 72.409999999999997 109.963 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -132.42 132.44 42.79 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.803 0.841 . . . . 74.140000000000001 109.368 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.781 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 30.9 m170 -67.71 161.35 26.14 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 117.922 0.328 . . . . 73.239999999999995 110.597 170.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.6 p -52.5 -56.77 12.85 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 124.558 1.161 . . . . 64.540000000000006 110.799 169.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.539 ' HA ' ' HB3' ' A' ' 71' ' ' PRO . 32.0 p90 -77.2 -10.66 59.55 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 114.228 -1.351 . . . . 72.239999999999995 113.485 -172.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 92.4 m -78.67 -16.4 57.34 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.235 0.614 . . . . 72.430000000000007 112.514 178.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 70.3 mt -104.77 159.17 16.0 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.443 0.697 . . . . 71.299999999999997 111.103 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mp -113.75 114.82 46.76 Favored Pre-proline 0 CA--C 1.548 0.898 0 N-CA-C 107.915 -1.143 . . . . 73.519999999999996 107.915 172.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -80.0 147.94 77.83 Favored 'Cis proline' 0 C--N 1.378 2.103 0 CA-C-N 120.213 1.112 . . . . 64.109999999999999 112.845 0.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.539 ' HB3' ' HA ' ' A' ' 66' ' ' PHE . 54.2 Cg_exo -56.49 122.4 11.73 Favored 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 122.471 2.114 . . . . 63.229999999999997 111.446 174.105 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.1 mt -75.43 81.6 2.49 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.265 0.626 . . . . 54.020000000000003 109.934 -172.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.3 m -64.32 -28.84 69.99 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-O 121.704 0.764 . . . . 64.310000000000002 110.458 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.7 p -115.16 141.25 48.27 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 124.573 1.149 . . . . 73.099999999999994 108.727 169.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.2 mt -73.52 114.77 34.99 Favored Pre-proline 0 CA--C 1.55 0.95 0 N-CA-C 108.17 -1.048 . . . . 73.310000000000002 108.17 171.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.04 101.01 0.32 Allowed 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.424 2.083 . . . . 72.430000000000007 111.996 -177.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.4 tptt 69.48 -73.7 0.09 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.824 1.65 . . . . 74.319999999999993 110.625 177.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -170.37 -77.93 0.04 OUTLIER Glycine 0 C--O 1.242 0.644 0 N-CA-C 109.771 -1.332 . . . . 53.409999999999997 109.771 173.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -64.12 144.47 57.09 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.945 0.898 . . . . 72.109999999999999 109.506 170.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -138.74 143.75 39.17 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.591 0.71 . . . . 63.32 111.478 -171.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.4 mt -114.87 132.39 56.53 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 125.227 1.411 . . . . 75.120000000000005 108.09 173.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 31.6 p -68.35 139.76 92.32 Favored Pre-proline 0 N--CA 1.471 0.623 0 CA-C-O 118.628 -0.701 . . . . 62.140000000000001 109.819 176.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.411 ' O ' HG23 ' A' ' 87' ' ' VAL . 70.3 Cg_exo -45.06 -31.09 5.3 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 124.081 3.187 . . . . 70.200000000000003 114.075 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -62.99 -48.49 78.61 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.266 1.027 . . . . 74.340000000000003 111.194 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 62.1 m -71.77 -27.32 62.88 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.696 0.798 . . . . 52.210000000000001 111.473 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.4 t -70.05 -22.96 24.82 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 C-N-CA 123.847 0.859 . . . . 34.219999999999999 111.073 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 83' ' ' PRO . 93.4 t -64.68 -38.45 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 122.956 0.502 . . . . 33.509999999999998 111.956 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -59.23 135.77 57.75 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 123.796 0.685 . . . . 75.439999999999998 112.252 -176.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.1 101.99 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 125.605 1.562 . . . . 72.030000000000001 111.455 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 61.5 t -69.63 -63.91 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 C-N-CA 122.716 0.407 . . . . 70.340000000000003 110.92 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.5 p -171.55 137.32 1.04 Allowed 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 112.214 0.45 . . . . 52.229999999999997 112.214 -174.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -132.2 134.62 25.26 Favored Pre-proline 0 N--CA 1.489 1.477 0 C-N-CA 124.717 1.207 . . . . 72.540000000000006 108.607 172.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.4 104.22 0.5 Allowed 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.549 2.166 . . . . 62.450000000000003 111.448 174.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 . . . . . 0 C--O 1.252 1.233 0 C-N-CA 123.423 0.689 . . . . 54.420000000000002 109.968 -167.507 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.846 'ZN ' ' HG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 110.586 -0.153 . . . . 65.25 110.586 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 48.6 p-80 -94.29 130.73 40.45 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 109.23 -0.655 . . . . 75.120000000000005 109.23 175.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 47.9 ttp -79.15 75.1 5.7 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.228 0.611 . . . . 75.549999999999997 109.563 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.0 m 62.27 119.23 0.02 OUTLIER 'General case' 0 C--N 1.361 1.071 0 C-N-CA 125.002 1.321 . . . . 74.049999999999997 111.723 -175.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.92 -30.24 77.46 Favored Glycine 0 C--N 1.346 1.132 0 CA-C-N 116.637 -0.256 . . . . 33.43 113.605 -177.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -167.53 70.02 0.17 Allowed Glycine 0 C--N 1.341 0.815 0 N-CA-C 110.649 -0.98 . . . . 74.319999999999993 110.649 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.7 t -56.1 116.31 12.13 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 124.396 1.078 . . . . 61.299999999999997 110.46 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.12 115.92 2.91 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.716 2.277 . . . . 62.340000000000003 113.482 -174.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.496 HD22 ' HB ' ' A' ' 11' ' ' THR . 2.3 tt -70.56 118.03 12.84 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.096 0.958 . . . . 65.200000000000003 108.499 177.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.46 90.87 3.29 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 109.01 -0.737 . . . . 65.239999999999995 109.01 176.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.496 ' HB ' HD22 ' A' ' 9' ' ' LEU . 7.0 t -120.31 121.9 39.65 Favored 'General case' 0 CA--C 1.548 0.865 0 CA-C-N 115.369 -0.832 . . . . 71.519999999999996 109.874 -175.134 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.76 111.58 0.49 Allowed Glycine 0 C--N 1.339 0.719 0 N-CA-C 110.88 -0.888 . . . . 60.009999999999998 110.88 -178.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.4 t -115.84 153.39 31.57 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.636 0.774 . . . . 71.420000000000002 110.595 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.2 p -125.86 148.19 49.24 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 124.279 1.032 . . . . 70.019999999999996 109.136 175.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.68 -70.73 0.54 Allowed 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 109.41 -0.589 . . . . 74.420000000000002 109.41 172.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 49.45 73.86 0.22 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.908 1.283 . . . . 75.0 111.427 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.2 t -160.71 163.61 32.26 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 122.863 0.465 . . . . 71.340000000000003 110.876 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 66.6 11.36 8.08 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.978 1.311 . . . . 71.239999999999995 111.875 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.17 56.32 4.78 Favored Glycine 0 C--N 1.346 1.104 0 C-N-CA 122.884 0.278 . . . . 63.240000000000002 112.731 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -160.18 128.95 4.9 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.173 0.989 . . . . 74.120000000000005 108.939 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.5 t -163.38 -82.23 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 108.725 -0.843 . . . . 73.519999999999996 108.725 175.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 62.79 117.48 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 124.908 1.283 . . . . 72.239999999999995 112.577 177.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -64.86 119.65 11.06 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.075 0.95 . . . . 74.409999999999997 112.245 -177.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -93.04 103.27 15.59 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.145 -0.687 . . . . 74.239999999999995 109.145 169.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.7 150.88 35.09 Favored Glycine 0 C--N 1.344 1.006 0 N-CA-C 110.801 -0.92 . . . . 71.239999999999995 110.801 168.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -141.04 133.71 5.99 Favored Glycine 0 C--N 1.337 0.634 0 CA-C-N 117.138 0.469 . . . . 43.009999999999998 112.33 -177.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -155.26 97.48 2.41 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 124.099 0.96 . . . . 64.040000000000006 108.568 174.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -58.15 117.0 3.64 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 123.087 2.525 . . . . 73.409999999999997 112.183 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.49 88.87 0.08 OUTLIER 'Trans proline' 0 C--N 1.384 2.418 0 C-N-CA 122.98 2.454 . . . . 62.229999999999997 112.269 176.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.45 22.0 12.7 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 114.872 -1.058 . . . . 75.340000000000003 111.059 -175.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 70.3 mt -85.77 93.09 8.79 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.082 0.553 . . . . 73.299999999999997 110.136 -177.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mp 55.48 80.32 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 125.178 1.391 . . . . 73.129999999999995 109.757 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -83.79 81.32 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 107.391 -1.336 . . . . 64.400000000000006 107.391 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -170.71 138.09 1.25 Allowed Pre-proline 0 CA--C 1.546 0.793 0 CA-C-N 113.879 -1.509 . . . . 72.409999999999997 108.934 -168.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -48.79 -71.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.385 2.484 0 C-N-CA 123.809 3.006 . . . . 73.540000000000006 113.709 175.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.2 tp -170.08 18.26 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.822 0.849 . . . . 71.120000000000005 110.302 173.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 52.7 ttm -60.45 -27.58 67.63 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.056 0.542 . . . . 62.350000000000001 110.296 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.95 84.2 4.24 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 108.96 -0.756 . . . . 72.420000000000002 108.96 168.527 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -84.72 93.61 8.48 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.102 -1.073 . . . . 64.510000000000005 108.102 170.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 62' ' ' SER . 50.2 mm -108.73 143.94 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 124.825 1.25 . . . . 65.430000000000007 109.102 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.704 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 41.0 t -67.19 97.42 0.53 Allowed 'General case' 0 C--N 1.351 0.666 0 N-CA-C 107.586 -1.264 . . . . 73.450000000000003 107.586 171.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -51.39 -39.51 57.35 Favored 'General case' 0 C--O 1.248 1.002 0 C-N-CA 125.751 1.62 . . . . 65.409999999999997 112.883 -171.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.3 mt -60.98 -47.24 94.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.233 0.613 . . . . 75.120000000000005 111.357 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.635 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 62.6 m -89.2 -23.9 22.28 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 112.277 0.473 . . . . 61.210000000000001 112.277 -168.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 64.4 t30 57.96 33.98 23.79 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.307 1.043 . . . . 75.319999999999993 110.014 -167.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -126.41 132.98 51.39 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.918 0.887 . . . . 64.420000000000002 109.489 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -111.41 19.16 24.64 Favored Glycine 0 CA--C 1.526 0.77 0 O-C-N 123.941 0.775 . . . . 61.020000000000003 111.837 170.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.2 -69.53 0.35 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.616 1.166 . . . . 52.509999999999998 110.232 -174.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.9 t -83.38 87.71 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 108.449 -0.945 . . . . 64.430000000000007 108.449 175.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -78.57 -25.43 45.36 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 114.893 -1.049 . . . . 74.019999999999996 111.635 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -59.44 -35.64 74.42 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.219 1.008 . . . . 70.519999999999996 112.807 -173.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.469 ' HA ' HD11 ' A' ' 75' ' ' ILE . 19.7 m -102.48 3.86 38.05 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.183 0.593 . . . . 45.539999999999999 111.214 -176.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 45.0 ttm -80.28 121.59 25.84 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 109.104 -0.702 . . . . 74.219999999999999 109.104 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.479 HD21 HG23 ' A' ' 75' ' ' ILE . 87.6 mt -112.77 143.15 44.49 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 124.368 1.067 . . . . 71.340000000000003 109.537 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -100.5 127.86 46.73 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 105.804 -1.925 . . . . 71.230000000000004 105.804 174.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.727 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 50.2 t -68.43 108.91 3.44 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.385 -0.598 . . . . 63.32 109.385 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -61.16 -26.68 67.86 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.263 1.025 . . . . 71.340000000000003 112.382 -171.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -89.58 -16.95 56.04 Favored Glycine 0 C--N 1.346 1.111 0 N-CA-C 114.402 0.521 . . . . 64.010000000000005 114.402 -176.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.727 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 19.8 p -146.22 -159.67 1.05 Allowed 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 117.862 0.831 . . . . 74.200000000000003 111.079 -172.145 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -116.14 97.69 6.21 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 124.343 1.057 . . . . 75.239999999999995 108.838 175.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -173.61 160.29 3.75 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.97 0.908 . . . . 73.329999999999998 108.881 174.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 40' ' ' ILE . 69.6 m -138.73 130.72 28.07 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.269 0.628 . . . . 74.239999999999995 109.945 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -130.24 140.43 50.7 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.043 1.337 . . . . 63.350000000000001 108.39 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.675 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 33.4 m170 -72.04 156.5 39.15 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 108.778 -0.823 . . . . 72.409999999999997 108.778 164.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.485 ' HA ' HD12 ' A' ' 72' ' ' LEU . 48.2 p -59.53 -39.92 85.48 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 123.903 0.752 . . . . 62.130000000000003 110.623 171.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -91.74 9.96 30.36 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.94 -1.027 . . . . 63.049999999999997 113.094 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.704 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 67.4 m -78.43 -43.67 26.72 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.272 0.558 . . . . 63.200000000000003 110.077 168.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.8 mt -82.54 138.36 34.3 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.777 -1.101 . . . . 72.329999999999998 109.135 -178.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.33 129.45 25.33 Favored Pre-proline 0 N--CA 1.479 0.999 0 CA-C-O 118.961 -0.542 . . . . 64.519999999999996 110.056 173.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 49.1 Cg_endo -66.84 140.98 53.12 Favored 'Cis proline' 0 C--N 1.385 2.494 0 CA-C-N 119.935 1.013 . . . . 72.019999999999996 113.231 -1.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 70' ' ' PRO . 32.6 Cg_exo -59.71 148.77 86.52 Favored 'Trans proline' 0 C--N 1.381 2.271 0 C-N-CA 123.323 2.682 . . . . 62.149999999999999 113.768 -174.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 65' ' ' THR . 61.8 mt -68.7 119.47 13.15 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.852 0.861 . . . . 44.32 109.396 -178.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.8 m -64.65 -38.69 91.87 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 123.961 0.788 . . . . 74.239999999999995 111.925 -170.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.1 m -145.17 148.71 33.86 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.394 0.677 . . . . 72.019999999999996 110.623 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.479 HG23 HD21 ' A' ' 54' ' ' LEU . 57.6 mt -77.98 119.89 79.12 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 115.013 -0.994 . . . . 63.340000000000003 109.203 174.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 75' ' ' ILE . 2.9 Cg_endo -84.19 44.0 1.46 Allowed 'Trans proline' 0 C--N 1.372 1.766 0 C-N-CA 123.417 2.745 . . . . 72.430000000000007 111.639 177.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt 63.2 -80.8 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.104 1.362 . . . . 65.239999999999995 111.03 -174.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -154.79 6.02 0.29 Allowed Glycine 0 N--CA 1.468 0.805 0 N-CA-C 110.232 -1.147 . . . . 72.420000000000002 110.232 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -86.74 42.53 1.02 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.137 1.375 . . . . 63.409999999999997 109.871 -178.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 82.3 t90 -118.52 130.57 56.0 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 108.661 -0.866 . . . . 75.310000000000002 108.661 -170.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.5 mt -107.08 138.72 42.73 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 124.434 1.093 . . . . 74.430000000000007 109.337 173.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 84' ' ' ARG . 29.0 p -71.84 153.3 93.13 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 109.162 -0.681 . . . . 74.420000000000002 109.162 171.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.591 ' HG2' HH11 ' A' ' 84' ' ' ARG . 37.8 Cg_endo -61.74 -18.54 61.07 Favored 'Trans proline' 0 C--N 1.371 1.733 0 C-N-CA 122.47 2.113 . . . . 71.329999999999998 112.504 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.591 HH11 ' HG2' ' A' ' 83' ' ' PRO . 6.8 mpt_? -63.63 -53.9 44.2 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.26 1.024 . . . . 74.439999999999998 109.426 174.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.44 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 97.4 m -56.29 -39.4 72.64 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 123.868 0.867 . . . . 61.32 112.049 -177.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 49.1 t -63.12 -43.64 99.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 114.823 -1.08 . . . . 75.109999999999999 110.724 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.6 m -94.2 -20.07 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 N-CA-C 113.185 0.809 . . . . 54.439999999999998 113.185 -172.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -87.42 -39.52 15.18 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 120.885 0.374 . . . . 74.319999999999993 110.291 -177.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -87.67 107.82 18.8 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 108.793 -0.817 . . . . 54.25 108.793 178.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.9 t -87.24 93.56 4.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 107.194 -1.41 . . . . 74.340000000000003 107.194 174.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.7 t -60.97 -57.25 13.41 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.603 0.761 . . . . 70.409999999999997 111.001 -175.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.19 121.43 27.07 Favored Pre-proline 0 CA--C 1.55 0.959 0 N-CA-C 107.721 -1.214 . . . . 74.319999999999993 107.721 171.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -69.35 101.89 0.9 Allowed 'Trans proline' 0 C--N 1.373 1.828 0 C-N-CA 122.815 2.343 . . . . 54.409999999999997 113.301 -175.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 107.35 -1.352 . . . . 74.129999999999995 107.35 174.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.635 'ZN ' ' SG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . 0.725 'ZN ' ' HG ' ' A' ' 59' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.0 p . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 110.614 -0.143 . . . . 73.530000000000001 110.614 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 -69.44 105.93 2.78 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.166 0.586 . . . . 73.040000000000006 109.697 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 55.7 ttp -68.29 94.69 0.55 Allowed 'General case' 0 C--O 1.238 0.491 0 N-CA-C 108.881 -0.785 . . . . 74.439999999999998 108.881 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.6 p -73.53 86.96 1.59 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.583 -0.735 . . . . 62.409999999999997 109.042 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.12 70.48 2.67 Favored Glycine 0 C--N 1.343 0.945 0 CA-C-N 115.259 -0.882 . . . . 74.200000000000003 111.735 -177.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.6 -93.35 0.04 OUTLIER Glycine 0 C--N 1.352 1.446 0 N-CA-C 110.643 -0.983 . . . . 73.329999999999998 110.643 171.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.7 p -177.91 103.79 0.21 Allowed Pre-proline 0 N--CA 1.475 0.818 0 C-N-CA 124.027 0.931 . . . . 55.409999999999997 109.456 173.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -61.26 127.68 22.77 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.051 1.834 . . . . 63.299999999999997 109.547 167.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 mp -75.56 74.96 2.59 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.47 0.708 . . . . 73.209999999999994 109.947 -176.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.84 79.91 3.43 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.968 0.907 . . . . 45.140000000000001 108.711 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.8 m -75.28 89.92 2.59 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 114.883 -1.053 . . . . 61.5 111.366 -170.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.35 130.69 10.97 Favored Glycine 0 C--N 1.338 0.663 0 N-CA-C 110.18 -1.168 . . . . 73.0 110.18 168.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.3 p -68.94 85.29 0.33 Allowed 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 121.73 0.776 . . . . 74.400000000000006 110.895 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.6 m -118.08 91.19 3.5 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.958 -1.019 . . . . 75.230000000000004 108.477 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.4 96.79 0.58 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.945 0.898 . . . . 71.439999999999998 109.195 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -90.09 115.21 27.18 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 108.997 -0.742 . . . . 74.109999999999999 108.997 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.7 m -84.8 102.42 13.04 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.481 0.712 . . . . 43.409999999999997 110.392 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -89.22 143.78 26.59 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.076 0.951 . . . . 62.350000000000001 109.488 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.79 79.36 0.05 OUTLIER Glycine 0 C--N 1.341 0.81 0 N-CA-C 111.609 -0.596 . . . . 33.409999999999997 111.609 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.26 87.19 1.25 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.455 0.702 . . . . 71.450000000000003 109.622 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.9 p -159.2 118.97 3.04 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.107 0.963 . . . . 74.129999999999995 110.433 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -147.98 147.33 29.52 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.263 1.025 . . . . 73.439999999999998 108.596 175.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -85.1 97.97 10.17 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 109.702 -0.481 . . . . 55.299999999999997 109.702 -177.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -129.94 106.0 8.36 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.791 0.837 . . . . 70.349999999999994 109.89 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.62 54.59 0.01 OUTLIER Glycine 0 C--N 1.339 0.743 0 N-CA-C 111.04 -0.824 . . . . 53.340000000000003 111.04 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.26 71.15 0.47 Allowed Glycine 0 C--N 1.342 0.916 0 N-CA-C 111.482 -0.647 . . . . 73.0 111.482 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 69.02 112.23 0.03 OUTLIER Pre-proline 0 CA--C 1.558 1.253 0 C-N-CA 124.838 1.255 . . . . 55.329999999999998 112.159 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -86.8 101.47 0.56 Allowed 'Trans proline' 0 CA--C 1.558 1.701 0 C-N-CA 123.291 2.661 . . . . 71.340000000000003 109.524 161.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -67.87 84.87 0.41 Allowed 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 123.099 2.533 . . . . 63.149999999999999 112.495 -171.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -174.84 22.62 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.251 1.421 . . . . 72.310000000000002 109.823 -179.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.3 tp -123.99 80.63 1.83 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.636 0.774 . . . . 74.109999999999999 109.443 -175.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.4 tt -161.63 117.97 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 C-N-CA 123.896 0.879 . . . . 62.219999999999999 109.882 170.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.5 p -173.03 150.96 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.365 1.066 . . . . 75.299999999999997 108.781 174.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -111.17 128.03 25.98 Favored Pre-proline 0 N--CA 1.473 0.682 0 N-CA-C 108.869 -0.789 . . . . 75.430000000000007 108.869 172.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -70.91 1.18 5.45 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 123.169 2.58 . . . . 65.209999999999994 112.644 174.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.6 mt -67.4 87.89 0.19 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.435 1.094 . . . . 65.340000000000003 109.863 173.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 56.7 ttm -139.89 7.99 2.3 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.78 1.232 . . . . 74.109999999999999 108.341 170.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -132.58 179.54 6.08 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.879 1.271 . . . . 54.130000000000003 108.801 -176.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.437 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 73.2 m-85 -64.89 -60.15 3.39 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.003 0.521 . . . . 74.120000000000005 110.546 175.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.4 mt 62.68 109.85 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 125.563 1.545 . . . . 73.030000000000001 113.268 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 22.1 t -75.13 88.14 2.44 Favored 'General case' 0 C--N 1.346 0.448 0 N-CA-C 106.748 -1.575 . . . . 75.010000000000005 106.748 168.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -39.95 -42.57 1.38 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 125.125 1.515 . . . . 55.219999999999999 112.628 -171.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.6 mt -56.4 -52.19 55.25 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 C-N-CA 124.185 0.994 . . . . 75.439999999999998 112.404 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.849 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 21.2 p -100.18 -1.03 37.59 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 122.001 -0.437 . . . . 72.549999999999997 111.419 -174.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 63.61 10.67 5.15 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.132 1.373 . . . . 71.5 113.14 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -83.21 112.68 20.08 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.493 0.717 . . . . 71.140000000000001 110.729 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.51 73.33 0.23 Allowed Glycine 0 C--O 1.241 0.547 0 N-CA-C 107.679 -2.168 . . . . 64.340000000000003 107.679 169.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -170.52 -44.46 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 109.002 -0.74 . . . . 71.200000000000003 109.002 -159.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.8 t -97.5 78.68 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.204 0.601 . . . . 74.129999999999995 109.713 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.553 ' HA ' ' HB3' ' A' ' 53' ' ' MET . 2.8 mp0 -81.52 -18.94 43.31 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.136 0.574 . . . . 74.230000000000004 110.627 173.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -55.36 -36.81 66.73 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.652 1.181 . . . . 73.400000000000006 112.914 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.0 t -103.38 0.65 31.59 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.319 0.648 . . . . 52.5 111.48 177.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.553 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 40.9 ttm -100.25 131.65 46.07 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.985 0.514 . . . . 74.519999999999996 110.46 -171.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.508 HD11 HG23 ' A' ' 65' ' ' THR . 6.0 mp -103.71 152.82 21.37 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.057 1.343 . . . . 74.109999999999999 109.401 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -102.01 137.36 40.39 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.887 -0.597 . . . . 71.219999999999999 109.707 174.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.5 t -82.23 133.3 35.25 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.308 -0.86 . . . . 73.25 109.822 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -78.46 -50.94 10.76 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.627 0.371 . . . . 71.519999999999996 111.017 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.22 -17.24 69.95 Favored Glycine 0 C--N 1.349 1.258 0 CA-C-N 115.714 -0.676 . . . . 71.439999999999998 114.434 -170.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.3 p -165.59 177.84 7.09 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.314 1.046 . . . . 63.299999999999997 109.753 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -92.86 91.42 7.43 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.41 0.684 . . . . 43.100000000000001 109.253 -172.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -135.53 148.77 49.27 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 108.661 -0.866 . . . . 52.399999999999999 108.661 177.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.533 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 30.1 m -138.19 121.1 16.56 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 108.144 -1.058 . . . . 72.230000000000004 108.144 174.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -149.34 145.59 27.09 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.668 0.787 . . . . 70.239999999999995 110.575 -173.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.485 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 31.2 m170 -76.08 155.68 34.57 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.246 0.618 . . . . 61.420000000000002 110.384 174.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.672 HG21 HG12 ' A' ' 75' ' ' ILE . 7.9 p -59.06 -51.73 68.8 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.605 0.762 . . . . 51.43 111.219 172.207 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -74.48 -11.92 60.35 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 114.856 -1.065 . . . . 74.209999999999994 112.334 -173.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.774 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 84.0 m -90.77 -21.86 21.33 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-N 118.202 0.455 . . . . 70.129999999999995 112.089 -177.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.7 mt -83.28 42.78 0.84 Allowed 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 113.668 0.988 . . . . 73.420000000000002 113.668 -172.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mp -55.45 120.18 29.51 Favored Pre-proline 0 N--CA 1.5 2.072 0 C-N-CA 123.55 0.74 . . . . 73.430000000000007 112.157 -174.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -67.11 117.44 2.31 Favored 'Cis proline' 0 C--N 1.389 2.666 0 CA-C-N 120.392 1.176 . . . . 72.519999999999996 112.727 5.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -74.65 160.88 40.56 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.889 2.393 . . . . 74.230000000000004 114.112 -160.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.6 mt -77.42 82.74 3.86 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 108.436 -0.95 . . . . 73.129999999999995 108.436 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 t -61.86 -22.83 65.86 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.818 0.847 . . . . 73.310000000000002 112.001 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.5 t -125.75 136.55 53.29 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 107.24 -1.393 . . . . 64.230000000000004 107.24 165.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.672 HG12 HG21 ' A' ' 65' ' ' THR . 26.3 mt -73.21 123.36 89.44 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 123.682 0.793 . . . . 73.439999999999998 110.301 -178.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -48.42 127.86 16.6 Favored 'Trans proline' 0 C--N 1.384 2.428 0 C-N-CA 123.458 2.772 . . . . 74.219999999999999 111.766 169.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -47.59 81.4 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 125.681 1.593 . . . . 44.530000000000001 113.335 -177.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.03 -86.34 1.5 Allowed Glycine 0 C--N 1.348 1.207 0 CA-C-N 114.645 -1.161 . . . . 65.030000000000001 112.299 175.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -95.34 123.93 39.11 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.477 0.711 . . . . 73.200000000000003 110.468 -173.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 31.5 t90 -101.28 150.07 23.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.862 1.265 . . . . 71.319999999999993 111.022 -172.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.5 mt -115.56 127.93 55.6 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.55 -0.907 . . . . 71.219999999999999 108.55 172.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.64 ' SG ' ' HB2' ' A' ' 84' ' ' ARG . 26.4 p -77.4 161.5 72.28 Favored Pre-proline 0 CA--C 1.552 1.019 0 C-N-CA 123.084 0.554 . . . . 73.319999999999993 110.345 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -48.13 -33.89 22.38 Favored 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 123.042 2.495 . . . . 55.43 113.31 168.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.64 ' HB2' ' SG ' ' A' ' 82' ' ' CYS . 92.2 mtt180 -61.82 -40.73 96.29 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.879 0.872 . . . . 72.510000000000005 111.249 175.335 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 83.2 m -73.52 -28.38 61.87 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.446 0.698 . . . . 63.409999999999997 111.751 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.1 t -66.33 -41.54 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.229 0.611 . . . . 73.319999999999993 109.545 173.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.5 t -74.65 -22.96 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 C-N-CA 123.558 0.743 . . . . 73.120000000000005 110.652 173.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 68.82 -69.84 0.15 Allowed 'General case' 0 C--N 1.36 1.023 0 C-N-CA 126.849 2.06 . . . . 72.299999999999997 110.392 -170.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.95 140.37 22.38 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 106.04 -1.837 . . . . 74.349999999999994 106.04 173.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.0 t -69.28 91.33 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 N-CA-C 108.628 -0.879 . . . . 72.540000000000006 108.628 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.4 t -71.48 123.28 22.06 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 124.083 0.953 . . . . 74.310000000000002 111.226 -167.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -80.4 122.27 82.45 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 123.545 0.738 . . . . 74.329999999999998 109.917 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -68.98 85.26 0.51 Allowed 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 122.451 2.101 . . . . 61.140000000000001 110.441 166.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? . . . . . 0 C--O 1.247 0.953 0 N-CA-C 108.527 -0.916 . . . . 73.319999999999993 108.527 -177.947 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.849 'ZN ' ' HG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.5 p . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 110.038 -0.356 . . . . 72.5 110.038 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -63.71 99.41 0.23 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.313 0.645 . . . . 74.150000000000006 110.221 -177.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 67.3 mtt -67.83 86.95 0.23 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.452 0.701 . . . . 63.450000000000003 109.617 176.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.1 t -99.7 98.6 9.42 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 107.938 -1.134 . . . . 61.450000000000003 107.938 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -135.51 97.31 0.28 Allowed Glycine 0 C--N 1.34 0.768 0 CA-C-N 115.76 -0.654 . . . . 51.109999999999999 111.496 -178.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.91 118.02 9.23 Favored Glycine 0 C--N 1.342 0.902 0 N-CA-C 111.201 -0.759 . . . . 74.439999999999998 111.201 173.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.1 t -117.59 86.0 22.38 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 123.586 0.754 . . . . 74.120000000000005 109.55 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -79.06 125.36 6.49 Favored 'Trans proline' 0 C--N 1.371 1.747 0 C-N-CA 122.071 1.848 . . . . 74.349999999999994 110.164 174.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.7 mt -56.37 114.98 2.22 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.414 0.686 . . . . 72.239999999999995 109.319 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.48 84.69 0.17 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.685 0.794 . . . . 64.109999999999999 110.854 -169.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.5 m 67.41 143.46 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.894 1.678 . . . . 73.540000000000006 112.657 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.69 143.56 16.83 Favored Glycine 0 C--N 1.342 0.872 0 N-CA-C 110.984 -0.846 . . . . 73.049999999999997 110.984 170.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.4 p -70.91 158.96 35.54 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.604 0.762 . . . . 74.200000000000003 111.329 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.4 p -121.13 167.55 12.53 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.396 1.079 . . . . 75.239999999999995 109.655 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.1 126.56 8.7 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.118 0.567 . . . . 74.230000000000004 109.991 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -117.2 98.96 6.72 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 107.775 -1.195 . . . . 74.129999999999995 107.775 176.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.4 m -64.58 114.07 4.14 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.674 0.79 . . . . 64.310000000000002 111.279 -173.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -101.01 -171.42 2.0 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.655 0.782 . . . . 74.140000000000001 110.908 -178.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.05 90.24 0.08 OUTLIER Glycine 0 C--N 1.348 1.217 0 CA-C-N 115.979 -0.555 . . . . 64.340000000000003 112.28 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.9 109.13 11.66 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.021 0.528 . . . . 75.230000000000004 109.996 178.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.7 m -77.34 77.97 3.87 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-O 121.651 0.739 . . . . 62.310000000000002 110.346 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -109.04 129.97 55.47 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.25 -0.886 . . . . 72.329999999999998 110.494 -176.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -174.48 103.1 0.1 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.749 0.82 . . . . 73.109999999999999 109.674 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -171.44 156.31 4.47 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.697 0.799 . . . . 63.299999999999997 110.43 171.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.45 41.58 99.76 Favored Glycine 0 C--N 1.347 1.16 0 O-C-N 123.699 0.625 . . . . 74.510000000000005 112.983 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -86.32 60.85 4.52 Favored Glycine 0 C--N 1.346 1.126 0 N-CA-C 111.235 -0.746 . . . . 64.239999999999995 111.235 178.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -163.06 92.72 1.18 Allowed Pre-proline 0 C--O 1.245 0.816 0 N-CA-C 107.551 -1.277 . . . . 72.340000000000003 107.551 -173.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.83 130.06 33.28 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.134 1.889 . . . . 44.140000000000001 110.251 173.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -66.25 94.6 0.3 Allowed 'Trans proline' 0 C--N 1.378 2.086 0 C-N-CA 122.585 2.19 . . . . 64.209999999999994 111.189 -174.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.77 93.96 0.06 Allowed 'General case' 0 C--N 1.349 0.552 0 CA-C-N 115.106 -0.952 . . . . 72.530000000000001 109.871 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.7 tp -92.88 96.81 10.35 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.967 -1.015 . . . . 75.019999999999996 109.952 -172.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.451 HG23 ' HB3' ' A' ' 34' ' ' ASP . 2.3 mp -75.02 92.17 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 108.822 -0.807 . . . . 73.209999999999994 108.822 176.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.7 t -91.57 -1.56 10.1 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.279 0 C-N-CA 123.884 0.873 . . . . 61.140000000000001 108.803 168.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.451 ' HB3' HG23 ' A' ' 32' ' ' ILE . 13.9 t70 -56.86 141.01 75.73 Favored Pre-proline 0 CA--C 1.556 1.208 0 C-N-CA 125.171 1.388 . . . . 74.239999999999995 110.617 174.117 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -44.23 -36.69 9.32 Favored 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 124.269 3.313 . . . . 72.219999999999999 113.965 177.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.8 tt 77.35 -54.65 0.54 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 125.449 1.5 . . . . 72.310000000000002 111.822 173.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.4 tpt -59.13 85.93 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 124.564 1.145 . . . . 65.030000000000001 111.997 -177.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -148.99 162.55 39.68 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.945 1.298 . . . . 70.530000000000001 108.98 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -70.41 -72.58 0.2 Allowed 'General case' 0 C--O 1.243 0.719 0 O-C-N 123.591 0.557 . . . . 74.019999999999996 109.547 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.0 mt 63.64 127.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 125.494 1.517 . . . . 74.239999999999995 112.021 175.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 53.0 t -61.49 105.91 0.58 Allowed 'General case' 0 C--N 1.35 0.608 0 N-CA-C 109.158 -0.682 . . . . 63.530000000000001 109.158 176.341 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -62.47 -14.68 43.91 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 125.465 1.506 . . . . 72.25 112.301 -173.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.3 mt -94.38 -34.59 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 C-N-CA 123.297 0.639 . . . . 73.120000000000005 110.211 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.75 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 84.0 m -80.74 -24.92 38.36 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 122.826 0.45 . . . . 70.040000000000006 111.698 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.8 t30 74.86 -24.7 0.21 Allowed 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 125.421 1.488 . . . . 72.120000000000005 111.877 -172.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -109.84 167.55 10.07 Favored 'General case' 0 C--O 1.244 0.801 0 C-N-CA 124.265 1.026 . . . . 73.140000000000001 110.83 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -99.7 39.96 2.59 Favored Glycine 0 C--N 1.345 1.064 0 CA-C-N 115.293 -0.867 . . . . 34.409999999999997 113.314 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -72.1 156.84 38.75 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.358 -0.608 . . . . 73.230000000000004 109.358 174.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.0 t 43.09 55.07 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 125.11 1.364 . . . . 75.219999999999999 111.167 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -65.44 -21.53 66.66 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 114.564 -1.198 . . . . 52.409999999999997 112.441 -172.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -64.47 -37.11 86.41 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.715 0.806 . . . . 73.109999999999999 110.692 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.3 m -97.02 13.28 29.56 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.282 0.633 . . . . 51.210000000000001 111.55 -175.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 46.1 ttm -84.32 102.51 12.76 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 108.656 -0.868 . . . . 70.030000000000001 108.656 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.2 mt -74.32 145.93 43.52 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.148 -0.933 . . . . 74.340000000000003 108.961 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.67 116.51 25.44 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.972 -1.121 . . . . 74.340000000000003 107.972 175.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.614 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 43.6 t -57.7 110.4 0.89 Allowed 'General case' 0 C--N 1.354 0.789 0 O-C-N 123.714 0.634 . . . . 62.130000000000003 109.741 173.077 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -58.38 -30.08 66.51 Favored 'General case' 0 CA--C 1.562 1.415 0 O-C-N 124.066 0.854 . . . . 60.450000000000003 111.764 -177.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.537 ' O ' ' SG ' ' A' ' 59' ' ' CYS . . . -118.22 59.26 0.5 Allowed Glycine 0 CA--C 1.544 1.872 0 CA-C-N 115.477 -0.783 . . . . 52.100000000000001 113.398 177.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.849 ' HG ' 'ZN ' ' A' ' 102' ' ' ' ZN' . 64.8 m -173.72 -34.86 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 126.274 1.83 . . . . 72.099999999999994 110.272 168.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.6 t70 61.14 56.57 2.71 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 122.944 1.354 . . . . 72.219999999999999 109.284 -168.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -125.7 134.37 51.83 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 107.356 -1.35 . . . . 70.040000000000006 107.356 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.5 m -102.16 122.2 43.7 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.729 0.812 . . . . 42.32 110.568 -169.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -136.0 138.24 42.05 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.296 1.038 . . . . 73.209999999999994 108.252 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.67 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 26.6 m170 -74.49 156.29 37.07 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 118.34 0.518 . . . . 73.400000000000006 109.969 170.057 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 36.8 p -53.59 -45.93 70.17 Favored 'General case' 0 CA--C 1.553 1.06 0 O-C-N 124.652 1.22 . . . . 75.019999999999996 111.357 170.224 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -85.74 -23.74 27.2 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 115.239 -0.891 . . . . 75.439999999999998 113.187 -175.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.75 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 86.9 m -69.06 -25.61 64.54 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 118.252 0.478 . . . . 72.129999999999995 112.041 -179.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.5 mt -80.63 155.44 26.85 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.557 -0.534 . . . . 73.340000000000003 109.557 172.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 pp -124.97 136.45 28.11 Favored Pre-proline 0 CA--C 1.549 0.917 0 N-CA-C 108.857 -0.794 . . . . 64.25 108.857 169.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -64.09 137.55 28.28 Favored 'Cis proline' 0 C--N 1.378 2.095 0 CA-C-N 120.018 1.042 . . . . 71.450000000000003 112.393 -7.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -68.42 124.85 12.1 Favored 'Trans proline' 0 C--N 1.371 1.733 0 C-N-CA 122.637 2.225 . . . . 43.119999999999997 112.803 -173.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.415 ' O ' ' HB ' ' A' ' 65' ' ' THR . 48.5 mt -65.87 113.54 4.44 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.548 -0.751 . . . . 74.239999999999995 109.322 172.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.1 p -80.42 -1.29 40.83 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.528 0.731 . . . . 63.299999999999997 111.901 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.3 t -155.34 176.83 12.06 Favored 'General case' 0 C--O 1.248 1.021 0 C-N-CA 124.335 1.054 . . . . 53.229999999999997 109.269 -177.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.0 mt -64.6 128.28 93.3 Favored Pre-proline 0 CA--C 1.559 1.3 0 N-CA-C 109.288 -0.634 . . . . 74.420000000000002 109.288 172.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -64.24 177.52 2.0 Allowed 'Trans proline' 0 C--N 1.375 1.947 0 C-N-CA 123.284 2.656 . . . . 74.340000000000003 113.881 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -64.55 97.42 0.21 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.165 0.986 . . . . 74.430000000000007 111.254 -176.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 63.46 -136.06 42.14 Favored Glycine 0 C--N 1.35 1.329 0 O-C-N 123.658 0.599 . . . . 44.439999999999998 111.782 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -69.78 150.52 46.8 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.346 -0.613 . . . . 61.340000000000003 109.346 173.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -111.76 131.84 55.05 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 121.194 0.521 . . . . 75.019999999999996 110.121 -173.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.439 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 82.0 mt -104.94 132.35 51.3 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.271 1.028 . . . . 62.219999999999999 109.162 173.243 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.781 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 19.2 p -66.58 159.69 72.2 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 123.339 0.656 . . . . 73.5 111.153 175.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.423 ' HB2' ' NH2' ' A' ' 84' ' ' ARG . 51.7 Cg_exo -56.84 -20.5 36.07 Favored 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 122.582 2.188 . . . . 53.310000000000002 112.88 171.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.703 ' HB2' ' SG ' ' A' ' 82' ' ' CYS . 0.0 OUTLIER -62.41 -47.03 85.91 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.796 0.839 . . . . 72.299999999999997 110.287 171.121 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.701 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 59.0 m -66.79 -39.48 87.79 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.62 0.768 . . . . 75.109999999999999 111.066 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.7 t -66.68 -43.14 90.37 Favored 'Isoleucine or valine' 0 C--O 1.247 0.947 0 CA-C-N 114.761 -1.108 . . . . 74.510000000000005 109.774 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.0 t 74.99 -49.95 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 C-N-CA 126.088 1.755 . . . . 75.099999999999994 111.045 -176.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 71.22 122.15 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.163 1.785 . . . . 64.299999999999997 111.634 175.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -64.6 -22.82 67.07 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.559 1.144 . . . . 71.010000000000005 112.404 -171.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 m -100.12 89.57 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 109.132 -0.692 . . . . 64.349999999999994 109.132 170.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.9 m -81.88 162.47 22.76 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.848 -0.614 . . . . 62.310000000000002 110.602 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -73.55 156.95 88.34 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 123.903 0.881 . . . . 64.109999999999999 109.221 175.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -55.13 141.25 80.32 Favored 'Trans proline' 0 C--N 1.376 1.984 0 C-N-CA 122.634 2.223 . . . . 75.230000000000004 112.815 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 . . . . . 0 C--O 1.255 1.345 0 C-N-CA 123.485 0.714 . . . . 54.399999999999999 109.404 178.892 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.696 'ZN ' ' HG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . 0.849 'ZN ' ' HG ' ' A' ' 59' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.4 tptt . . . . . 0 N--CA 1.466 0.341 0 N-CA-C 107.463 -1.31 . . . . 63.23 107.463 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -69.74 95.4 0.88 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.511 0.724 . . . . 74.11 110.002 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.4 mt -107.85 139.43 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.704 0.802 . . . . 70.43 109.637 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.666 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 14.5 t -77.08 97.83 4.83 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 108.155 -1.054 . . . . 62.25 108.155 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -65.17 -24.68 67.45 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 114.631 -1.168 . . . . 65.44 112.876 -169.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.8 mt -59.72 -43.16 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 122.986 0.514 . . . . 72.33 111.243 169.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.535 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 25.4 p -106.58 3.99 27.57 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 122.302 -0.248 . . . . 74.41 111.416 -176.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.3 p30 55.49 9.51 0.39 Allowed 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 126.166 1.787 . . . . 74.24 113.873 -178.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -135.72 146.19 47.45 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.158 0.983 . . . . 74.31 108.964 -172.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.53 50.93 1.24 Allowed Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.678 -0.569 . . . . 51.45 111.678 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -42.83 -76.28 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 125.516 1.526 . . . . 61.12 112.928 -175.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.4 t -113.18 103.77 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 109.568 -0.53 . . . . 70.45 109.568 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.39 -24.89 64.83 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.75 0.82 . . . . 72.11 111.593 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -72.76 -20.77 61.12 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.973 0.909 . . . . 61.02 111.125 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.1 m -110.1 9.08 24.12 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.938 0.895 . . . . 65.02 111.037 177.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 48.9 ttm -91.91 115.72 28.3 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 123.113 0.565 . . . . 75.24 109.637 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 59.1 mt -102.71 153.01 20.55 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 124.453 1.101 . . . . 72.01 110.213 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.27 116.26 22.36 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 105.99 -1.855 . . . . 63.31 105.99 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.682 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 44.4 t -58.0 113.64 1.98 Allowed 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.634 0.584 . . . . 72.14 111.575 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.676 ' HB2' ' HB3' ' A' ' 79' ' ' GLU . 29.5 t70 -51.35 -48.79 62.34 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.84 1.256 . . . . 72.31 110.962 173.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.456 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -96.95 55.06 1.34 Allowed Glycine 0 C--N 1.347 1.142 0 O-C-N 123.948 0.78 . . . . 71.12 112.016 175.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.557 ' HB2' ' SG ' ' A' ' 56' ' ' CYS . 33.3 m 177.09 -155.88 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 127.708 2.403 . . . . 65.15 105.952 170.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -161.28 104.96 1.29 Allowed 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.098 -1.075 . . . . 71.04 108.098 167.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.41 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 10.4 t70 -175.68 146.25 0.74 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.475 1.11 . . . . 74.33 108.542 177.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 54.7 m -92.88 123.91 36.48 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.967 0.507 . . . . 74.21 110.656 -177.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 61' ' ' ASP . 69.9 m-85 -122.88 147.97 45.97 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.461 1.105 . . . . 70.33 108.551 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.78 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 24.5 m80 -93.05 153.05 18.93 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 108.632 -0.877 . . . . 62.35 108.632 165.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.435 HG22 HD12 ' A' ' 72' ' ' LEU . 32.6 p -60.65 -39.64 89.06 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.626 1.203 . . . . 72.05 109.964 169.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -65.06 -38.03 89.5 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.834 1.254 . . . . 73.41 111.552 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.78 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 79.7 m -70.71 -18.99 62.8 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.658 0.783 . . . . 65.21 112.99 -174.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 85.3 mt -90.6 143.24 26.93 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.508 0.723 . . . . 75.13 109.565 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 mp -107.08 118.56 53.64 Favored Pre-proline 0 N--CA 1.49 1.561 0 C-N-CA 123.642 0.777 . . . . 71.52 109.741 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -80.24 160.41 85.71 Favored 'Cis proline' 0 C--N 1.385 2.467 0 CA-C-N 119.943 1.015 . . . . 70.21 111.221 -4.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.432 ' HA ' ' O ' ' A' ' 65' ' ' THR . 76.0 Cg_exo -53.26 137.33 63.84 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 122.383 2.055 . . . . 64.51 112.055 174.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.435 HD12 HG22 ' A' ' 65' ' ' THR . 69.5 mt -68.82 101.3 1.31 Allowed 'General case' 0 CA--C 1.542 0.67 0 O-C-N 123.53 0.518 . . . . 72.32 110.11 -173.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.8 m -55.41 -35.73 65.69 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 125.082 1.353 . . . . 74.34 111.966 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.4 m -109.85 136.38 49.25 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 123.806 0.842 . . . . 71.13 108.798 173.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.6 mm -78.38 122.55 85.23 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 107.696 -1.224 . . . . 75.54 107.696 167.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -48.25 110.86 0.37 Allowed 'Trans proline' 0 C--N 1.377 2.033 0 C-N-CA 123.465 2.776 . . . . 63.31 113.453 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -61.29 -40.2 93.26 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.582 1.153 . . . . 75.42 110.849 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -96.59 175.99 32.04 Favored Glycine 0 C--N 1.341 0.84 0 N-CA-C 110.658 -0.977 . . . . 34.34 110.658 170.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.676 ' HB3' ' HB2' ' A' ' 57' ' ' ASP . 22.8 mm-40 -56.13 134.58 52.92 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.605 0.762 . . . . 74.31 110.868 177.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -89.51 135.7 33.45 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.714 0.806 . . . . 74.55 109.327 -172.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.0 mt -101.26 132.77 46.62 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 108.432 -0.951 . . . . 72.13 108.432 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.779 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 17.2 p -62.45 141.09 96.63 Favored Pre-proline 0 CA--C 1.553 1.069 0 CA-C-O 118.751 -0.642 . . . . 64.03 109.637 172.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.23 -27.87 31.86 Favored 'Trans proline' 0 C--N 1.39 2.711 0 C-N-CA 123.913 3.075 . . . . 70.34 113.772 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -57.53 -46.91 83.29 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.427 1.091 . . . . 73.31 110.331 174.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.779 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 63.2 m -81.82 -31.76 31.55 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.918 -1.037 . . . . 71.34 111.869 -176.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.6 t -53.2 -37.68 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 123.519 0.728 . . . . 70.33 111.518 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 CA--C 1.551 0.993 0 CA-C-O 121.94 0.876 . . . . 73.42 109.231 174.67 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.478 0 N-CA-C 107.926 -1.139 . . . . 73.43 107.926 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.562 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 31.5 m-85 -71.55 85.95 0.87 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.867 0.841 . . . . 71.01 110.274 -173.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.8 mt -111.68 122.79 66.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 C-N-CA 125.675 1.59 . . . . 64.42 108.592 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.468 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 52.9 t -65.55 110.91 2.89 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.463 -0.939 . . . . 45.42 108.463 174.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -65.27 -9.97 28.46 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.492 1.517 . . . . 73.21 112.75 -170.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.4 mt -102.36 -27.88 3.22 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 124.044 0.938 . . . . 74.12 110.108 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.628 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 68.5 m -89.24 -20.33 24.28 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.266 0.626 . . . . 75.33 111.848 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.1 t30 74.55 -8.68 1.45 Allowed 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 125.397 1.479 . . . . 74.32 111.934 -174.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.18 159.13 42.82 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.002 0.921 . . . . 74.52 110.201 172.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.78 50.45 0.77 Allowed Glycine 0 C--N 1.338 0.694 0 CA-C-N 115.976 -0.556 . . . . 74.51 111.968 176.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -59.04 -34.97 72.53 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.388 1.075 . . . . 43.41 112.131 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.561 HG12 ' H ' ' A' ' 52' ' ' SER . 54.7 t -116.48 94.51 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.115 0.566 . . . . 71.2 109.748 172.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.08 -24.41 62.31 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.639 0.376 . . . . 74.42 110.867 173.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.74 -37.63 88.09 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.387 1.075 . . . . 74.04 113.024 -174.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.561 ' H ' HG12 ' A' ' 49' ' ' VAL . 17.7 m -100.58 14.79 30.22 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.179 0.592 . . . . 73.55 110.76 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.574 ' SD ' ' HB3' ' A' ' 62' ' ' SER . 44.8 ttm -95.71 122.25 38.28 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 123.295 0.638 . . . . 73.12 110.777 -175.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.8 mt -89.61 148.22 23.47 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 125.282 1.433 . . . . 74.43 109.273 174.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -115.86 129.41 56.41 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.202 0.601 . . . . 71.24 109.526 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.827 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 42.3 t -72.38 86.84 1.14 Allowed 'General case' 0 C--N 1.351 0.659 0 N-CA-C 108.903 -0.777 . . . . 73.53 108.903 173.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.9 85.17 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 125.3 1.44 . . . . 70.4 111.52 -175.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 153.75 -29.25 0.75 Allowed Glycine 0 C--N 1.346 1.116 0 CA-C-N 115.867 -0.606 . . . . 72.53 112.89 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.827 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 4.2 p -128.24 -8.47 5.31 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.679 0.792 . . . . 74.33 111.454 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 61.15 76.4 0.37 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.437 1.495 . . . . 72.24 112.003 175.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.447 ' H ' ' HB3' ' A' ' 56' ' ' CYS . 19.3 m-20 -121.54 119.99 33.55 Favored 'General case' 0 C--O 1.245 0.851 0 N-CA-C 108.102 -1.073 . . . . 73.1 108.102 174.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.574 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 30.5 m -93.91 123.49 37.3 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.188 0.595 . . . . 73.52 110.058 -177.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -140.01 161.68 37.03 Favored 'General case' 0 C--O 1.208 -1.088 0 C-N-CA 124.689 1.196 . . . . 72.15 109.795 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.657 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 38.0 m80 -97.55 156.05 16.68 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 109.315 -0.624 . . . . 71.23 109.315 169.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.6 p -54.18 -48.27 71.12 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.946 0.898 . . . . 61.21 111.153 173.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -78.22 -17.91 56.11 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 115.174 -0.921 . . . . 74.31 112.682 -176.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 88.0 m -75.91 -32.6 59.7 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.045 0.538 . . . . 74.32 111.908 178.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.1 mt -71.26 150.98 44.7 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.937 0.895 . . . . 74.35 112.661 -174.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.7 mp -118.0 112.65 38.09 Favored Pre-proline 0 CA--C 1.555 1.16 0 N-CA-C 107.768 -1.197 . . . . 75.14 107.768 167.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 91.3 Cg_endo -75.98 144.28 79.28 Favored 'Cis proline' 0 C--N 1.383 2.392 0 CA-C-N 120.395 1.177 . . . . 42.21 112.773 -0.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 70' ' ' PRO . 17.4 Cg_exo -66.54 138.81 51.3 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.374 2.05 . . . . 73.23 111.462 177.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.0 mt -91.5 131.1 37.17 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.974 -0.557 . . . . 74.4 109.613 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.9 t -74.97 -14.75 60.66 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.51 0.724 . . . . 73.32 111.223 -177.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.7 p -150.78 160.67 43.71 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.332 1.053 . . . . 74.02 110.381 -174.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 76.0 mt -81.75 117.28 67.67 Favored Pre-proline 0 CA--C 1.552 1.053 0 C-N-CA 123.979 0.912 . . . . 73.12 109.077 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -81.04 58.86 7.21 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 123.065 2.51 . . . . 52.14 111.814 177.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.4 tttp 73.03 -28.77 0.19 Allowed 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 125.89 1.676 . . . . 74.25 113.793 178.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.51 -30.42 9.54 Favored Glycine 0 C--N 1.343 0.936 0 N-CA-C 111.301 -0.719 . . . . 73.24 111.301 -169.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -74.83 89.05 2.31 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 107.532 -1.284 . . . . 61.01 107.532 170.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -145.85 154.96 42.56 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 114.832 -1.076 . . . . 73.33 109.755 -168.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 98.3 mt -119.96 130.16 54.65 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.532 0.733 . . . . 74.03 109.414 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.762 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 14.4 p -67.47 143.1 96.89 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 123.804 0.842 . . . . 43.24 111.018 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.52 -30.33 53.79 Favored 'Trans proline' 0 C--N 1.385 2.486 0 C-N-CA 123.327 2.684 . . . . 64.13 113.151 -178.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -68.4 -34.08 75.39 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 115.841 -0.618 . . . . 73.3 111.436 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.784 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 71.3 m -85.76 -23.87 27.1 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 122.568 0.347 . . . . 73.12 111.846 177.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.0 t -69.55 -44.55 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 122.567 0.347 . . . . 74.02 110.234 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.3 t . . . . . 0 N--CA 1.481 1.099 0 CA-C-N 116.108 -0.496 . . . . 60.04 109.848 171.743 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp . . . . . 0 N--CA 1.469 0.488 0 N-CA-C 106.198 -1.778 . . . . 72.33 106.198 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.4 ' HB2' ' SD ' ' A' ' 53' ' ' MET . 89.1 m-85 -59.55 99.53 0.06 Allowed 'General case' 0 CA--C 1.547 0.839 0 O-C-N 123.688 0.618 . . . . 74.44 110.003 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.1 mt -72.42 116.94 15.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.687 0 C-N-CA 123.48 0.712 . . . . 73.44 110.579 -175.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.675 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 48.7 t -64.84 121.5 14.75 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 108.586 -0.894 . . . . 74.44 108.586 176.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -67.93 -4.07 11.84 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 112.612 0.597 . . . . 74.23 112.612 -174.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.6 mt -112.89 -49.37 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 123.698 0.799 . . . . 63.54 111.344 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 26.5 p -107.35 -3.95 19.11 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.869 -0.519 . . . . 51.15 112.313 -170.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 75.6 -56.5 0.6 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 126.243 1.817 . . . . 53.41 113.093 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.83 135.11 57.45 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.296 0.639 . . . . 75.53 112.003 -175.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.38 30.25 7.41 Favored Glycine 0 N--CA 1.475 1.276 0 N-CA-C 110.907 -0.877 . . . . 65.31 110.907 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -88.81 -25.37 22.25 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.177 0.991 . . . . 74.32 110.758 -173.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.2 t -84.36 63.39 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 N-CA-C 107.629 -1.248 . . . . 54.3 107.629 168.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.7 ' HA ' ' HB2' ' A' ' 53' ' ' MET . 11.5 pt-20 -73.41 -20.21 60.79 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.519 -1.219 . . . . 73.44 111.237 -175.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -57.87 -35.07 70.45 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 124.405 1.082 . . . . 73.25 111.151 170.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.8 t -106.02 8.66 32.47 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.799 0.839 . . . . 71.04 111.795 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.7 ' HB2' ' HA ' ' A' ' 50' ' ' GLU . 4.2 tpt -67.83 102.55 1.26 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.985 0.514 . . . . 63.12 110.324 -175.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.2 mt -92.26 122.39 34.69 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.332 1.053 . . . . 73.52 108.994 176.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -111.59 116.08 30.23 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 108.269 -1.011 . . . . 74.12 108.269 -177.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.767 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 49.9 t -72.53 83.46 1.11 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.537 -0.912 . . . . 65.43 108.537 174.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -63.02 99.52 0.17 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.503 -0.771 . . . . 74.11 110.659 -178.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.87 -31.54 0.99 Allowed Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.412 -1.075 . . . . 72.33 110.412 -174.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.767 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 2.2 p -147.04 10.64 1.02 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.899 0.88 . . . . 74.12 112.367 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 60.84 14.49 5.21 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 114.794 1.405 . . . . 64.41 114.794 171.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.447 ' HB3' ' HE2' ' A' ' 63' ' ' TYR . 51.6 m-20 -66.56 99.35 0.57 Allowed 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.179 0.445 . . . . 72.42 110.445 -176.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 m -83.54 126.99 33.37 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.566 -0.743 . . . . 74.45 109.497 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.447 ' HE2' ' HB3' ' A' ' 61' ' ' ASP . 89.6 m-85 -143.16 175.46 9.86 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.442 1.097 . . . . 73.1 108.717 177.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.667 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 45.3 m80 -113.22 166.02 11.85 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.104 -0.702 . . . . 74.35 109.104 165.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.5 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 50.3 p -57.4 -46.66 83.22 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 123.907 0.754 . . . . 72.15 111.027 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -81.42 -4.24 55.22 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.654 1.182 . . . . 75.22 113.194 -176.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.675 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 99.4 m -78.93 -50.52 11.04 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 118.423 0.556 . . . . 73.23 112.384 -175.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.432 ' H ' HD12 ' A' ' 68' ' ' LEU . 4.1 mp -70.93 174.45 6.15 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 113.088 0.773 . . . . 71.53 113.088 -173.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.6 tp -127.92 112.08 20.32 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 124.635 1.174 . . . . 73.04 107.956 171.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -73.73 135.51 40.39 Favored 'Cis proline' 0 C--N 1.379 2.16 0 CA-C-N 120.581 1.243 . . . . 54.02 113.358 4.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.77 122.13 8.56 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 122.622 2.215 . . . . 62.12 111.185 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.5 ' O ' ' HB ' ' A' ' 65' ' ' THR . 62.8 mt -70.99 88.43 0.76 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.378 1.071 . . . . 74.41 111.075 -176.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.1 p -70.09 -37.5 75.44 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 109.12 -0.696 . . . . 73.24 109.12 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.8 p -83.8 127.71 34.01 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.383 -0.826 . . . . 75.41 109.09 168.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.1 mm -58.77 130.23 85.57 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 124.437 1.095 . . . . 75.41 111.471 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -66.08 -179.9 1.61 Allowed 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 122.732 2.288 . . . . 72.12 112.68 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -83.08 35.9 0.5 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.03 0.932 . . . . 75.31 112.961 -170.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.98 -77.16 0.83 Allowed Glycine 0 C--N 1.35 1.332 0 N-CA-C 111.467 -0.653 . . . . 72.23 111.467 -173.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -68.16 99.69 0.93 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.072 0.949 . . . . 73.41 108.767 173.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -120.56 137.66 54.28 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.057 1.343 . . . . 73.54 109.123 -175.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.0 mt -122.12 146.19 47.45 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.719 0.808 . . . . 45.42 108.914 168.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.755 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 10.5 p -63.08 140.87 97.71 Favored Pre-proline 0 CA--C 1.55 0.974 0 CA-C-O 118.517 -0.754 . . . . 72.25 109.736 173.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -43.88 -34.72 6.34 Favored 'Trans proline' 0 C--N 1.382 2.294 0 C-N-CA 124.286 3.324 . . . . 73.5 115.511 -173.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -70.04 -39.61 75.63 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.703 0.801 . . . . 70.44 110.714 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.759 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 58.8 m -83.06 -20.11 35.58 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.445 0.698 . . . . 43.03 112.17 -178.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.13 -44.56 95.41 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 N-CA-C 109.494 -0.558 . . . . 34.43 109.494 168.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 CA--C 1.546 0.823 0 CA-C-O 122.598 1.189 . . . . 52.22 108.125 170.624 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.5 mttp . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 107.76 -1.2 . . . . 72.13 107.76 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -71.89 127.24 31.95 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.422 0.629 . . . . 74.22 111.208 -174.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.7 mt -114.99 133.66 60.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 C-N-CA 125.015 1.326 . . . . 61.4 109.728 -172.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 62' ' ' SER . 53.1 t -80.47 112.29 17.67 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 108.06 -1.089 . . . . 65.14 108.06 168.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -54.85 -42.32 71.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 124.19 0.931 . . . . 64.24 111.747 -174.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 58.3 mt -60.01 -45.85 94.91 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 C-N-CA 124.443 1.097 . . . . 74.14 111.278 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 29.3 m -80.88 -18.03 48.65 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.056 0.942 . . . . 74.42 111.574 -177.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 64.17 16.02 9.74 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.291 1.437 . . . . 73.31 112.049 -175.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.444 ' HG3' ' HB2' ' A' ' 48' ' ' ASP . 20.0 ptt-85 -162.04 174.62 12.76 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.003 0.921 . . . . 70.43 110.764 -177.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.21 -42.83 82.48 Favored Glycine 0 C--N 1.348 1.198 0 O-C-N 123.708 0.63 . . . . 41.15 112.227 175.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.444 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 27.5 t70 62.61 -89.15 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 124.629 1.172 . . . . 64.13 112.322 172.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.407 HG12 ' H ' ' A' ' 52' ' ' SER . 93.4 t -123.45 92.22 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 107.614 -1.254 . . . . 71.13 107.614 178.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -61.73 -30.22 70.63 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.45 1.1 . . . . 71.54 112.032 -172.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -66.85 -37.33 84.25 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.486 0.714 . . . . 74.44 111.64 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.407 ' H ' HG12 ' A' ' 49' ' ' VAL . 38.0 t -78.89 -20.33 49.71 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.047 0.539 . . . . 52.4 110.415 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.443 ' SD ' ' HB3' ' A' ' 62' ' ' SER . 48.6 ttm -72.97 117.61 14.91 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.005 0.922 . . . . 71.0 110.875 177.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.9 mp -91.16 151.42 20.97 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 107.916 -1.142 . . . . 73.13 107.916 169.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.6 123.04 44.26 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 107.509 -1.293 . . . . 75.23 107.509 -176.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.7 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 35.1 t -67.56 123.68 21.13 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.513 0.725 . . . . 63.14 111.534 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.76 -29.48 67.88 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.852 1.261 . . . . 75.23 111.846 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.19 0.62 66.52 Favored Glycine 0 C--N 1.345 1.043 0 CA-C-O 118.985 -0.897 . . . . 73.13 114.462 -174.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.79 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 25.8 p -171.4 -153.82 0.09 Allowed 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 117.627 0.713 . . . . 63.42 110.658 -175.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -118.19 -6.25 10.87 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.593 0.757 . . . . 75.44 112.564 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.411 ' OD1' ' SG ' ' A' ' 59' ' ' CYS . 7.9 p30 -63.5 139.42 58.77 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 118.815 0.734 . . . . 44.23 110.314 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.555 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 50.0 m -123.4 138.83 54.51 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.707 0.803 . . . . 73.21 109.3 -174.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.419 ' HB2' ' CH2' ' A' ' 80' ' ' TRP . 57.6 m-85 -143.34 149.8 38.28 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.81 0.844 . . . . 74.21 109.357 -178.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.647 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 38.6 m80 -87.78 160.63 17.97 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.213 0.605 . . . . 74.34 110.559 176.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.525 HG22 ' HB2' ' A' ' 72' ' ' LEU . 42.7 p -58.15 -54.83 42.52 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 123.924 0.765 . . . . 71.14 111.089 175.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -77.26 -14.34 59.77 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.005 -0.998 . . . . 45.22 112.514 -174.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.647 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 90.9 m -74.28 -14.47 60.91 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 113.437 0.903 . . . . 73.34 113.437 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 63.3 mt -108.75 150.46 27.56 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.582 0.753 . . . . 74.51 110.756 -177.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.2 mt -128.86 117.24 19.34 Favored Pre-proline 0 N--CA 1.479 1.025 0 N-CA-C 107.895 -1.15 . . . . 53.1 107.895 169.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -70.68 142.3 71.6 Favored 'Cis proline' 0 C--N 1.385 2.472 0 CA-C-N 120.649 1.268 . . . . 72.3 112.301 -0.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.463 ' HG2' HG23 ' A' ' 73' ' ' THR . 59.7 Cg_endo -68.97 161.13 47.04 Favored 'Trans proline' 0 C--N 1.373 1.855 0 C-N-CA 122.449 2.099 . . . . 71.21 111.964 -177.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.525 ' HB2' HG22 ' A' ' 65' ' ' THR . 49.8 mt -82.19 71.96 9.25 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.856 -0.794 . . . . 71.31 108.856 176.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.463 HG23 ' HG2' ' A' ' 71' ' ' PRO . 40.9 p -69.92 -27.82 65.1 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 114.753 -1.112 . . . . 63.42 110.325 -179.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.2 m -118.07 129.74 55.73 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 108.454 -0.943 . . . . 55.11 108.454 171.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.4 mm -78.45 121.86 84.27 Favored Pre-proline 0 C--O 1.247 0.928 0 C-N-CA 123.517 0.727 . . . . 75.41 109.529 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -72.64 99.33 1.04 Allowed 'Trans proline' 0 C--N 1.376 1.983 0 C-N-CA 121.934 1.756 . . . . 52.32 110.493 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -58.93 105.67 0.34 Allowed 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 114.566 -1.197 . . . . 71.34 109.825 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.58 20.35 2.92 Favored Glycine 0 N--CA 1.47 0.938 0 N-CA-C 109.876 -1.29 . . . . 50.11 109.876 -171.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 67.59 176.57 0.25 Allowed 'General case' 0 C--N 1.359 0.997 0 C-N-CA 126.305 1.842 . . . . 62.5 112.846 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.424 ' CZ2' ' HA ' ' A' ' 82' ' ' CYS . 55.8 t90 -123.0 144.75 49.05 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.337 0.655 . . . . 73.54 111.92 -164.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.5 mt -106.53 127.22 53.15 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 124.401 1.08 . . . . 73.44 109.411 171.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.707 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 32.0 p -67.23 158.34 82.04 Favored Pre-proline 0 N--CA 1.476 0.861 0 CA-C-O 117.939 -1.029 . . . . 63.41 110.583 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -46.81 -36.83 20.41 Favored 'Trans proline' 0 C--N 1.382 2.305 0 C-N-CA 122.917 2.411 . . . . 62.45 113.824 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.46 ' HB3' ' SG ' ' A' ' 82' ' ' CYS . 31.8 tpt180 -63.08 -47.13 84.21 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.121 1.368 . . . . 74.12 111.205 176.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.79 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 79.9 m -79.56 -28.04 41.2 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.417 0.687 . . . . 62.41 112.425 -176.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 82' ' ' CYS . 70.4 t -58.24 -55.85 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.037 0.935 . . . . 61.0 110.736 173.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.9 t . . . . . 0 N--CA 1.486 1.369 0 C-N-CA 125.427 1.491 . . . . 73.44 111.415 -178.335 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 121.67 0.748 . . . . 75.41 111.443 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -89.68 68.21 7.55 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.669 0.747 . . . . 74.53 110.04 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.5 pp -75.36 163.76 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 114.808 -1.087 . . . . 74.32 111.034 174.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.539 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 48.6 t -69.9 106.13 3.06 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 107.102 -1.444 . . . . 75.3 107.102 168.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -65.76 -13.64 59.79 Favored 'General case' 0 CA--C 1.564 1.501 0 O-C-N 124.176 0.922 . . . . 74.44 112.4 -167.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.6 mt -94.56 -25.94 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 C-N-CA 123.407 0.683 . . . . 72.13 109.908 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 73.7 m -87.66 -57.27 3.01 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.397 0.679 . . . . 72.04 111.633 -175.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 80.23 -38.39 0.16 Allowed 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 125.461 1.504 . . . . 61.51 111.781 -173.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -51.75 -59.56 4.16 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.23 1.012 . . . . 74.24 111.259 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.59 38.71 10.36 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-N 115.846 -0.615 . . . . 55.44 113.288 175.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -97.97 168.66 10.15 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.059 0.543 . . . . 72.13 109.73 169.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.6 t 56.69 61.88 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 124.561 1.144 . . . . 75.3 110.146 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -28.54 70.12 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 114.104 -1.407 . . . . 65.53 112.604 -178.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.14 -20.45 63.16 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.188 0.595 . . . . 51.32 112.168 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.2 m -102.19 13.04 35.75 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.982 0.513 . . . . 74.1 111.023 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 68.1 mtt -85.24 111.51 19.91 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.78 0.432 . . . . 71.32 110.312 177.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.5 mp -89.28 134.23 34.14 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 108.505 -0.924 . . . . 75.31 108.505 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.83 118.3 36.52 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 107.368 -1.345 . . . . 63.13 107.368 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.646 ' HB3' ' HB2' ' A' ' 59' ' ' CYS . 44.1 t -68.1 117.16 9.57 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 109.425 -0.583 . . . . 71.23 109.425 175.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -58.98 -24.45 62.72 Favored 'General case' 0 CA--C 1.56 1.363 0 O-C-N 124.671 1.232 . . . . 73.13 112.195 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.436 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -118.38 45.87 1.21 Allowed Glycine 0 C--N 1.35 1.321 0 CA-C-N 115.387 -0.824 . . . . 54.23 113.647 175.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.701 ' HG ' ' HG ' ' A' ' 82' ' ' CYS . 72.8 m -156.04 -176.02 5.74 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 124.384 1.073 . . . . 65.53 109.782 171.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -116.52 20.14 14.28 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.868 1.267 . . . . 54.54 108.359 175.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -121.54 149.43 43.12 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 114.943 -1.026 . . . . 70.41 110.842 -168.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.9 t -114.11 146.66 39.96 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 107.616 -1.253 . . . . 62.15 107.616 170.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -142.22 140.9 32.46 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 108.466 -0.939 . . . . 71.11 108.466 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.731 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 41.9 m80 -76.47 160.59 29.37 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.669 0.606 . . . . 73.0 109.932 174.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.466 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 26.1 p -51.93 -48.8 64.07 Favored 'General case' 0 CA--C 1.551 1.01 0 O-C-N 124.558 1.161 . . . . 55.15 111.552 173.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -81.07 -20.69 41.01 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.618 1.167 . . . . 71.35 112.993 -174.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 74.5 m -71.19 -14.97 62.44 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 112.561 0.578 . . . . 73.43 112.561 -178.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.3 mt -113.55 162.31 16.33 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.811 0.844 . . . . 73.21 110.933 -176.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 pp -121.53 132.69 24.17 Favored Pre-proline 0 CA--C 1.548 0.902 0 N-CA-C 108.847 -0.798 . . . . 72.53 108.847 173.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -73.29 134.41 35.11 Favored 'Cis proline' 0 C--N 1.376 1.993 0 C-N-CA 124.095 -1.21 . . . . 60.0 112.013 -3.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -60.78 134.71 55.4 Favored 'Trans proline' 0 C--N 1.384 2.4 0 C-N-CA 122.837 2.358 . . . . 42.23 111.735 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.466 ' O ' ' HB ' ' A' ' 65' ' ' THR . 64.9 mt -88.89 136.1 33.19 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.208 0.603 . . . . 73.42 110.188 -173.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.5 p -76.8 -15.86 59.62 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.55 0.74 . . . . 75.32 112.083 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 63.1 m -156.4 172.39 18.59 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.355 1.062 . . . . 74.31 109.227 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 79.1 mt -85.46 109.5 22.14 Favored Pre-proline 0 CA--C 1.545 0.766 0 N-CA-C 107.017 -1.475 . . . . 70.13 107.017 172.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -69.69 99.3 0.73 Allowed 'Trans proline' 0 C--N 1.369 1.622 0 C-N-CA 122.767 2.311 . . . . 64.02 111.373 -177.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt 73.54 -71.3 0.14 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.088 1.355 . . . . 71.51 111.651 175.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 154.97 -45.79 0.54 Allowed Glycine 0 C--N 1.343 0.968 0 N-CA-C 110.349 -1.1 . . . . 72.23 110.349 -175.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.28 79.69 2.38 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.596 0.758 . . . . 71.34 109.624 172.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -103.95 138.53 40.37 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 108.489 -0.93 . . . . 52.12 108.489 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.542 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 86.1 mt -112.7 144.53 42.06 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.052 0.941 . . . . 70.41 109.347 174.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.701 ' HG ' ' HG ' ' A' ' 59' ' ' CYS . 29.2 p -66.07 157.72 79.52 Favored Pre-proline 0 CA--C 1.55 0.957 0 C-N-CA 123.25 0.62 . . . . 61.22 110.308 175.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.449 ' O ' HG23 ' A' ' 87' ' ' VAL . 11.6 Cg_endo -53.72 -27.31 42.05 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.742 2.295 . . . . 63.12 112.744 176.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.6 mtt-85 -71.41 -40.19 70.63 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.036 0.935 . . . . 71.43 110.367 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 94.3 m -66.84 -30.49 70.69 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.099 0.56 . . . . 71.02 111.811 176.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.82 -38.35 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 C-N-CA 123.548 0.739 . . . . 74.31 110.543 175.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 83' ' ' PRO . 73.5 t . . . . . 0 N--CA 1.488 1.426 0 C-N-CA 123.043 0.537 . . . . 72.22 111.69 -178.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp . . . . . 0 C--O 1.237 0.395 0 N-CA-C 109.558 -0.534 . . . . 74.12 109.558 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -70.95 85.88 0.7 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.66 1.184 . . . . 65.11 108.437 173.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.8 mt -68.32 118.06 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 109.042 -0.725 . . . . 71.3 109.042 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.476 ' HG ' ' HD1' ' A' ' 64' ' ' HIS . 41.5 t -63.65 112.04 2.65 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 108.371 -0.974 . . . . 54.31 108.371 175.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -53.31 -26.37 18.44 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.114 1.366 . . . . 64.51 112.909 -169.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.474 ' HB ' ' HB3' ' A' ' 67' ' ' CYS . 55.2 mt -92.82 -38.2 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 C-N-CA 123.509 0.723 . . . . 71.31 111.769 -174.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.579 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 31.5 p -115.56 0.41 13.3 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 112.697 0.629 . . . . 73.04 112.697 -170.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 61.18 10.1 2.8 Favored 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 125.575 1.55 . . . . 73.31 114.048 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -91.69 121.83 33.7 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.92 0.488 . . . . 75.3 111.653 -177.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.22 10.39 75.04 Favored Glycine 0 N--CA 1.475 1.242 0 N-CA-C 111.546 -0.622 . . . . 63.24 111.546 171.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -110.28 171.59 7.37 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.761 1.624 . . . . 51.45 108.13 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.5 t 60.93 43.33 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 CA-C-O 122.941 1.353 . . . . 71.14 109.176 -172.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.64 -23.27 67.31 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 114.094 -1.412 . . . . 71.24 111.996 -176.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.1 -37.77 86.33 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.357 0.663 . . . . 64.45 111.049 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -93.88 4.22 54.25 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.876 0.471 . . . . 52.03 110.31 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 44.0 ttm -94.93 114.98 26.89 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 123.373 0.669 . . . . 73.44 109.919 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mp -93.58 136.55 33.74 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 124.729 1.212 . . . . 74.45 107.981 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.406 HD13 ' N ' ' A' ' 56' ' ' CYS . 1.4 tm? -122.35 145.91 47.82 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 107.415 -1.328 . . . . 65.54 107.415 -177.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.713 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 1.6 t -82.04 138.97 34.74 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.099 0.56 . . . . 70.15 110.88 -174.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -73.04 -27.6 61.85 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 121.209 0.528 . . . . 74.14 110.233 169.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.544 ' O ' ' SG ' ' A' ' 59' ' ' CYS . . . -130.97 107.22 0.73 Allowed Glycine 0 C--N 1.347 1.169 0 CA-C-O 118.764 -1.02 . . . . 54.31 110.604 178.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.689 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 18.4 p 84.39 104.4 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 C-N-CA 127.682 2.393 . . . . 74.45 108.735 173.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -73.42 121.35 20.36 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.51 1.124 . . . . 75.34 111.4 -164.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -155.06 126.67 7.42 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 107.374 -1.343 . . . . 72.32 107.374 171.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.9 m -91.99 123.19 35.17 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.359 0.663 . . . . 65.22 110.052 -178.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -130.25 142.36 50.56 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.614 0.766 . . . . 62.14 109.187 176.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.706 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 35.1 m80 -88.45 158.24 18.42 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 109.164 -0.68 . . . . 75.44 109.164 165.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.48 HG21 HG12 ' A' ' 75' ' ' ILE . 26.4 p -55.37 -53.66 53.47 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 124.241 0.963 . . . . 64.23 110.559 172.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.638 ' HA ' ' HB3' ' A' ' 71' ' ' PRO . 50.4 p90 -73.53 -22.66 60.05 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 114.773 -1.103 . . . . 65.5 112.684 -176.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.706 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 95.0 m -73.27 -31.58 64.16 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.062 0.545 . . . . 45.01 111.623 177.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.64 149.62 47.9 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.69 0.396 . . . . 63.15 109.991 175.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.3 mt -125.63 117.0 24.68 Favored Pre-proline 0 N--CA 1.479 1.002 0 N-CA-C 108.7 -0.852 . . . . 61.45 108.7 175.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 15.5 Cg_exo -70.19 141.09 65.6 Favored 'Cis proline' 0 C--N 1.382 2.306 0 CA-C-N 120.283 1.137 . . . . 72.22 113.106 -1.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.638 ' HB3' ' HA ' ' A' ' 66' ' ' PHE . 38.6 Cg_exo -59.7 137.48 77.32 Favored 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 123.45 2.767 . . . . 61.41 112.956 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.0 mt -81.6 88.26 6.22 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.335 0.654 . . . . 73.55 109.596 -177.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.3 p -65.08 -41.9 94.61 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 121.899 0.857 . . . . 73.32 109.035 172.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.5 m -89.09 115.47 26.65 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 114.029 -1.442 . . . . 71.12 108.261 167.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.48 HG12 HG21 ' A' ' 65' ' ' THR . 28.6 mt -84.46 124.84 73.07 Favored Pre-proline 0 CA--C 1.547 0.846 0 N-CA-C 108.717 -0.845 . . . . 72.13 108.717 178.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.71 81.15 0.46 Allowed 'Trans proline' 0 C--N 1.369 1.658 0 C-N-CA 122.551 2.167 . . . . 63.33 111.435 172.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.16 118.58 7.01 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 125.227 1.411 . . . . 63.3 109.168 177.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 123.68 -77.37 0.36 Allowed Glycine 0 C--O 1.241 0.584 0 O-C-N 123.633 0.583 . . . . 65.05 112.241 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -139.94 136.97 34.38 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.356 0.662 . . . . 73.2 109.94 -175.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -150.13 144.41 25.68 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 108.063 -1.088 . . . . 72.03 108.063 173.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.2 mt -119.58 138.1 53.43 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.559 0.744 . . . . 71.43 109.891 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.689 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 23.1 p -64.68 156.91 76.67 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 124.534 1.134 . . . . 33.14 111.861 178.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -46.85 -31.1 10.39 Favored 'Trans proline' 0 C--N 1.375 1.963 0 C-N-CA 123.752 2.968 . . . . 72.44 114.626 173.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.469 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 22.5 tpp180 -57.18 -43.46 82.67 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.133 0.973 . . . . 74.34 111.404 175.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.713 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 12.0 m -69.18 -36.35 77.24 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.154 0.581 . . . . 72.33 111.334 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 52.1 t -63.34 -28.03 44.24 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 115.195 -0.911 . . . . 70.24 110.595 -177.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.484 1.271 0 C-N-CA 123.503 0.721 . . . . 63.31 110.659 172.932 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.453 ' HG3' HG12 ' A' ' 40' ' ' ILE . 55.3 tptt . . . . . 0 C--O 1.239 0.528 0 N-CA-C 107.559 -1.275 . . . . 61.44 107.559 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -52.29 -72.06 0.06 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.503 1.121 . . . . 74.34 113.15 -174.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.453 HG12 ' HG3' ' A' ' 38' ' ' LYS . 24.3 mm 65.58 149.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 124.605 1.191 . . . . 61.14 111.885 -176.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.466 ' HG ' ' HG ' ' A' ' 44' ' ' CYS . 49.8 t -65.29 114.72 4.94 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 108.824 -0.806 . . . . 50.31 108.824 172.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.507 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 50.6 t-80 -70.13 -3.48 16.9 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.075 0.95 . . . . 70.53 112.857 -172.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.437 HD12 ' HB3' ' A' ' 67' ' ' CYS . 70.2 mt -107.97 -38.82 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 122.997 0.519 . . . . 55.24 110.429 174.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.622 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 84.2 m -82.92 -41.57 18.72 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.743 0.417 . . . . 41.24 111.703 -173.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 77.16 -36.58 0.25 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.703 1.601 . . . . 74.1 112.287 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -79.76 -45.25 19.2 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.237 0.615 . . . . 75.22 111.002 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.65 -73.44 0.48 Allowed Glycine 0 C--N 1.351 1.368 0 N-CA-C 111.583 -0.607 . . . . 74.03 111.583 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.6 t70 61.22 -82.62 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 124.457 1.103 . . . . 64.33 112.345 172.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.4 t -84.41 90.39 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 123.183 0.593 . . . . 63.41 109.561 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -71.01 -26.61 63.19 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.765 0.826 . . . . 71.25 111.234 175.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.29 -34.7 70.84 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.408 1.083 . . . . 74.03 112.747 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.5 m -102.91 14.32 32.23 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.568 0.347 . . . . 73.12 111.601 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 51.9 ttm -85.61 103.95 14.91 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.72 -0.845 . . . . 55.45 108.72 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.0 mt -83.96 150.58 25.56 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.588 1.155 . . . . 62.33 109.657 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -113.73 119.06 36.11 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 108.874 -0.788 . . . . 71.43 108.874 -175.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.846 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 17.4 t -78.95 91.05 4.78 Favored 'General case' 0 C--O 1.245 0.82 0 N-CA-C 108.808 -0.812 . . . . 72.52 108.808 176.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.98 96.09 3.11 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.561 0.745 . . . . 73.43 110.294 -176.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 156.81 -47.76 0.47 Allowed Glycine 0 CA--C 1.505 -0.546 0 N-CA-C 110.701 -0.959 . . . . 71.25 110.701 173.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 4.2 p -111.69 -6.07 14.39 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.303 0.641 . . . . 65.45 111.888 -173.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.8 t70 71.37 81.05 0.15 Allowed 'General case' 0 C--N 1.36 1.046 0 C-N-CA 123.981 0.913 . . . . 74.41 110.568 174.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -141.09 165.12 28.41 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 109.32 -0.622 . . . . 74.34 109.32 175.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 71.6 m -144.99 125.97 14.5 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.777 -0.647 . . . . 31.23 109.972 172.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.507 ' CE1' ' HB3' ' A' ' 42' ' ' HIS . 97.7 m-85 -141.89 146.43 35.75 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.88 0.872 . . . . 74.34 109.436 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.688 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 28.9 m80 -77.8 161.19 27.85 Favored 'General case' 0 C--O 1.248 1.003 0 N-CA-C 109.102 -0.703 . . . . 61.32 109.102 169.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.64 HG21 HG12 ' A' ' 75' ' ' ILE . 34.5 p -62.46 -42.93 99.82 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.392 -0.822 . . . . 52.33 110.119 171.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -90.32 50.81 1.9 Allowed 'General case' 0 CA--C 1.558 1.273 0 CA-C-N 115.058 -0.973 . . . . 74.14 110.836 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.688 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 83.3 m -134.68 -54.66 0.83 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.679 1.192 . . . . 54.12 108.561 175.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.8 mt -71.44 105.92 3.74 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 114.4 -1.273 . . . . 63.11 110.499 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.98 136.69 69.62 Favored Pre-proline 0 CA--C 1.552 1.037 0 C-N-CA 123.052 0.541 . . . . 70.01 110.834 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -69.48 132.2 21.18 Favored 'Cis proline' 0 C--N 1.383 2.376 0 CA-C-N 119.84 0.979 . . . . 63.42 111.685 -3.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -51.88 122.05 9.78 Favored 'Trans proline' 0 C--N 1.39 2.719 0 C-N-CA 123.423 2.748 . . . . 51.14 112.262 -171.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.3 mt -62.61 96.69 0.09 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.285 1.034 . . . . 73.43 109.814 -177.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.0 m -62.31 -33.38 74.57 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.858 0.863 . . . . 55.42 111.022 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.6 p -98.84 123.23 42.96 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 123.473 0.709 . . . . 62.1 109.443 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.64 HG12 HG21 ' A' ' 65' ' ' THR . 25.5 mt -91.61 113.21 57.93 Favored Pre-proline 0 N--CA 1.474 0.746 0 C-N-CA 124.55 1.14 . . . . 65.13 109.413 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.95 129.31 19.35 Favored 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 122.712 2.275 . . . . 72.15 112.896 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -78.62 -39.02 38.39 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 108.733 -0.84 . . . . 60.35 108.733 173.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.83 -178.79 34.78 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 114.874 -1.057 . . . . 53.35 112.781 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -65.18 142.05 58.46 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.439 0.695 . . . . 74.12 110.582 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -134.6 144.29 47.82 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.408 0.683 . . . . 62.04 110.572 -171.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.3 mt -127.13 143.59 51.23 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 124.565 1.146 . . . . 62.24 109.392 171.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.72 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 10.4 p -71.45 142.66 86.85 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 123.527 0.731 . . . . 72.11 110.861 178.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -47.65 -29.46 10.84 Favored 'Trans proline' 0 C--N 1.384 2.406 0 C-N-CA 123.71 2.94 . . . . 74.3 113.888 174.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -49.1 -60.39 2.83 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.549 1.14 . . . . 64.52 111.14 173.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 23.1 m -80.8 -24.17 38.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.205 -0.907 . . . . 51.32 111.654 -170.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.01 -30.82 48.4 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.079 0 CA-C-O 121.254 0.55 . . . . 73.13 109.908 172.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 67.0 t . . . . . 0 CA--C 1.551 1.009 0 C-N-CA 123.418 0.687 . . . . 75.14 110.967 174.449 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.1 tttm . . . . . 0 CA--C 1.544 0.743 0 N-CA-C 108.701 -0.852 . . . . 74.12 108.701 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 61.1 69.46 0.67 Allowed 'General case' 0 C--N 1.36 1.032 0 C-N-CA 124.255 1.022 . . . . 75.11 108.933 -169.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.3 mt -94.97 155.96 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 113.922 -1.49 . . . . 71.32 110.926 -171.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.741 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 46.1 t -65.76 107.76 1.89 Allowed 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 108.925 -0.768 . . . . 64.44 108.925 173.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -71.99 2.63 5.37 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 125.332 1.453 . . . . 72.33 111.907 -171.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.9 mt -116.15 -32.07 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 C-N-CA 123.504 0.722 . . . . 41.54 110.201 174.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.521 ' HG ' ' HG ' ' A' ' 67' ' ' CYS . 91.7 m -82.78 -20.02 36.62 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 118.82 -0.61 . . . . 72.4 111.508 -178.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 76.9 -40.34 0.36 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 125.074 1.35 . . . . 64.23 112.065 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -104.71 165.33 11.14 Favored 'General case' 0 C--O 1.246 0.88 0 C-N-CA 124.024 0.93 . . . . 71.12 110.51 173.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.62 -41.62 99.04 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 115.168 -0.924 . . . . 70.24 112.625 176.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.9 t70 62.02 -88.81 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.077 1.351 . . . . 72.41 111.367 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.8 t -115.22 99.86 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 123.478 0.711 . . . . 51.1 109.319 175.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -67.73 -25.38 65.62 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.257 0.623 . . . . 74.31 111.845 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -64.64 -29.5 70.51 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.331 1.052 . . . . 72.33 112.646 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.3 m -111.15 13.13 21.87 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.207 0.603 . . . . 54.22 111.256 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 48.2 ttm -81.32 106.98 13.72 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 123.161 0.584 . . . . 74.43 109.778 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 53.3 mt -85.25 141.21 30.27 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 125.013 1.325 . . . . 73.43 109.341 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -116.18 120.96 40.68 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.573 0.749 . . . . 72.35 109.439 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.672 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 41.8 t -72.99 114.83 11.58 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 108.643 -0.873 . . . . 43.31 108.643 176.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -53.32 -43.1 67.36 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 124.354 1.034 . . . . 73.43 110.832 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.488 ' O ' ' SG ' ' A' ' 59' ' ' CYS . . . -99.31 43.22 1.86 Allowed Glycine 0 C--N 1.344 1.0 0 CA-C-N 115.744 -0.662 . . . . 70.11 113.467 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 90.3 m -162.32 -176.42 5.08 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.461 0.705 . . . . 70.4 110.773 172.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -100.64 -22.39 14.95 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.249 1.42 . . . . 65.45 109.445 171.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.19 148.27 48.84 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 125.048 1.339 . . . . 71.11 111.756 -175.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.6 m -130.64 146.82 52.22 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 114.399 -1.273 . . . . 73.31 107.759 170.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.433 ' HD2' ' HH2' ' A' ' 80' ' ' TRP . 99.0 m-85 -139.45 158.65 43.77 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.021 0.928 . . . . 75.41 108.512 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.814 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 38.3 m80 -86.68 166.65 15.17 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 108.758 -0.83 . . . . 70.44 108.758 167.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.653 HG21 HD13 ' A' ' 75' ' ' ILE . 10.1 p -62.16 -43.39 98.94 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.477 -0.783 . . . . 70.41 109.936 169.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -91.48 40.59 1.04 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.163 0.985 . . . . 72.33 112.43 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.814 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 88.0 m -126.55 -50.75 1.5 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.36 0.664 . . . . 72.23 110.267 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.554 HD11 ' HZ2' ' A' ' 80' ' ' TRP . 97.0 mt -61.48 153.32 27.6 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.487 -0.779 . . . . 64.02 111.487 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mp -111.24 115.65 52.12 Favored Pre-proline 0 CA--C 1.548 0.878 0 N-CA-C 107.909 -1.145 . . . . 74.23 107.909 174.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -79.43 147.35 78.8 Favored 'Cis proline' 0 C--N 1.383 2.389 0 CA-C-N 120.114 1.076 . . . . 64.01 112.895 2.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.55 123.91 11.0 Favored 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 122.326 2.017 . . . . 72.33 111.684 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.456 ' O ' ' HB ' ' A' ' 65' ' ' THR . 45.0 mt -66.31 108.79 2.44 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.735 0.814 . . . . 65.13 109.051 178.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.4 p -85.0 6.65 24.29 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.99 0.916 . . . . 65.1 111.288 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.6 m -140.27 140.87 35.83 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 124.399 1.079 . . . . 55.41 109.133 172.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.653 HD13 HG21 ' A' ' 65' ' ' THR . 29.3 mm -74.3 118.71 71.92 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 123.715 0.806 . . . . 74.14 110.088 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.57 108.66 1.26 Allowed 'Trans proline' 0 C--N 1.378 2.13 0 C-N-CA 122.686 2.258 . . . . 71.32 110.951 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -93.15 107.99 19.68 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.303 -0.862 . . . . 70.11 110.25 -174.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 139.89 -137.78 8.69 Favored Glycine 0 C--N 1.34 0.766 0 N-CA-C 110.765 -0.934 . . . . 74.4 110.765 -172.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -101.86 125.65 48.58 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 108.629 -0.878 . . . . 72.24 108.629 173.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.554 ' HZ2' HD11 ' A' ' 68' ' ' LEU . 78.6 t90 -107.65 134.53 50.5 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 123.672 0.789 . . . . 71.52 108.961 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.468 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 95.8 mt -113.36 144.27 43.05 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.985 0.914 . . . . 72.4 109.644 174.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 27.9 p -65.41 154.47 87.7 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 123.412 0.685 . . . . 73.1 110.949 174.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -51.58 -25.81 20.72 Favored 'Trans proline' 0 C--N 1.373 1.861 0 C-N-CA 123.092 2.528 . . . . 75.54 113.844 172.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -68.86 -40.84 79.12 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.488 0.715 . . . . 75.34 110.508 176.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.715 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 80.7 m -68.89 -28.34 66.59 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 122.861 0.464 . . . . 74.5 111.635 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.32 -39.33 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 O-C-N 124.175 0.922 . . . . 65.35 110.322 174.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 N--CA 1.485 1.287 0 C-N-CA 123.501 0.721 . . . . 71.5 110.634 177.184 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 tptp . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.833 0.349 . . . . 71.51 110.872 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.608 ' HB3' ' HG2' ' A' ' 53' ' ' MET . 99.0 m-85 -75.77 93.19 3.1 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.498 0.719 . . . . 74.53 110.204 -173.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.3 mt -90.28 111.15 22.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 108.241 -1.022 . . . . 71.33 108.241 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 47.4 t -58.05 124.29 18.81 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.393 0.677 . . . . 74.14 109.765 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -75.89 -8.19 56.32 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.658 0.783 . . . . 73.2 111.499 -174.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.6 mt -93.94 -40.35 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.059 0 C-N-CA 123.63 0.772 . . . . 71.44 109.07 175.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.743 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 56.5 m -84.06 -32.98 24.55 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.894 0.878 . . . . 72.13 112.533 -176.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 63.66 13.21 7.17 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 125.106 1.363 . . . . 72.22 111.385 -164.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -110.65 -72.74 0.71 Allowed 'General case' 0 C--N 1.354 0.786 0 C-N-CA 123.681 0.793 . . . . 74.04 109.295 -176.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.72 43.28 4.86 Favored Glycine 0 C--N 1.35 1.353 0 N-CA-C 110.588 -1.005 . . . . 64.52 110.588 -168.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -44.78 -72.33 0.06 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.665 1.586 . . . . 72.13 112.035 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.402 HG12 ' H ' ' A' ' 52' ' ' SER . 17.2 t -106.88 90.98 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 108.849 -0.796 . . . . 74.14 108.849 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.486 ' HA ' ' HB2' ' A' ' 53' ' ' MET . 54.8 mt-10 -73.09 -21.35 60.77 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.578 0.751 . . . . 74.15 110.623 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.11 -34.91 78.62 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.228 1.011 . . . . 62.24 110.927 173.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.402 ' H ' HG12 ' A' ' 49' ' ' VAL . 48.0 m -103.94 20.05 18.88 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.792 0.837 . . . . 74.14 110.92 178.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.608 ' HG2' ' HB3' ' A' ' 39' ' ' TYR . 53.0 tpp -77.03 125.16 28.86 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 116.006 -0.543 . . . . 75.35 109.921 178.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.467 HD11 HG22 ' A' ' 65' ' ' THR . 85.4 mt -88.51 115.96 26.4 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.315 -0.994 . . . . 74.13 108.315 168.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -99.85 116.71 32.55 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.233 -1.766 . . . . 72.23 106.233 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 41.6 t -65.48 105.55 1.21 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.355 -0.609 . . . . 53.45 109.355 174.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.43 -33.31 74.56 Favored 'General case' 0 N--CA 1.483 1.209 0 O-C-N 123.741 0.651 . . . . 74.35 110.964 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.01 28.72 8.29 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 115.318 -0.855 . . . . 70.34 112.962 178.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 85.1 m -145.97 -78.48 0.18 Allowed 'General case' 0 C--N 1.353 0.722 0 C-N-CA 123.87 0.868 . . . . 51.42 108.989 172.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.4 t70 140.8 -24.95 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 126.997 2.119 . . . . 72.43 108.103 -162.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -74.89 134.09 41.69 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.712 0.634 . . . . 51.42 112.712 -162.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.55 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 66.0 m -89.07 136.13 33.18 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.864 0.865 . . . . 70.24 110.235 178.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -141.48 134.11 28.51 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.891 1.276 . . . . 73.33 108.415 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.688 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 29.0 m170 -78.21 147.86 34.26 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 118.777 0.717 . . . . 60.44 109.431 166.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.65 HG21 HG12 ' A' ' 75' ' ' ILE . 32.0 p -55.37 -48.59 74.06 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.07 0.948 . . . . 61.43 110.485 173.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -82.94 -3.33 56.95 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.919 1.287 . . . . 71.23 113.18 -173.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.743 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 74.5 m -98.99 -17.34 18.35 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 122.956 0.502 . . . . 52.32 111.527 176.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 42.0 mt -71.04 164.4 25.64 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.488 0.715 . . . . 73.33 111.496 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.7 mt -130.07 111.63 17.03 Favored Pre-proline 0 CA--C 1.553 1.066 0 N-CA-C 108.863 -0.792 . . . . 72.42 108.863 173.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 71.6 Cg_endo -74.16 141.16 70.94 Favored 'Cis proline' 0 C--N 1.377 2.064 0 CA-C-N 120.01 1.039 . . . . 70.23 112.259 -0.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 70' ' ' PRO . 29.5 Cg_exo -60.78 127.22 21.85 Favored 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 122.706 2.27 . . . . 71.31 111.171 178.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.6 mt -81.84 100.08 9.39 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.31 0.644 . . . . 73.41 109.746 -177.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.3 m -64.06 -26.2 68.45 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.715 0.806 . . . . 61.44 110.858 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.5 m -110.66 132.83 53.86 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 124.215 1.006 . . . . 73.34 108.926 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.65 HG12 HG21 ' A' ' 65' ' ' THR . 50.6 mt -83.33 124.13 76.26 Favored Pre-proline 0 CA--C 1.548 0.886 0 N-CA-C 109.133 -0.691 . . . . 75.45 109.133 177.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -61.16 140.43 89.15 Favored 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 122.585 2.19 . . . . 64.33 110.74 168.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.468 ' O ' ' HD2' ' A' ' 77' ' ' LYS . 0.2 OUTLIER -61.87 97.43 0.08 Allowed 'General case' 0 CA--C 1.56 1.329 0 CA-C-O 121.931 0.872 . . . . 74.33 111.034 -176.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.03 -76.9 2.18 Favored Glycine 0 C--N 1.34 0.785 0 CA-C-N 115.26 -0.882 . . . . 71.53 113.765 164.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -106.85 120.16 41.27 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.902 0.881 . . . . 73.41 110.845 -173.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.426 ' CH2' ' HA ' ' A' ' 82' ' ' CYS . 74.4 t90 -121.99 155.42 35.6 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.326 1.451 . . . . 71.34 109.442 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.456 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 81.1 mt -115.22 136.48 53.06 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.827 0.851 . . . . 64.24 110.121 177.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.65 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 30.4 p -59.45 154.22 45.0 Favored Pre-proline 0 CA--C 1.553 1.086 0 C-N-CA 123.536 0.735 . . . . 73.25 111.324 177.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -49.89 -26.59 14.26 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 123.47 2.78 . . . . 51.43 113.631 172.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -75.68 -28.4 58.65 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.019 0.528 . . . . 74.3 111.593 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.65 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 86.3 m -79.46 -38.05 35.51 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 122.824 0.45 . . . . 74.34 110.266 174.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.7 t -70.1 -44.67 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 124.241 1.016 . . . . 60.2 111.29 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.5 t . . . . . 0 N--CA 1.484 1.253 0 C-N-CA 123.006 0.522 . . . . 55.22 110.373 175.085 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.431 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 1.8 mppt? . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 106.53 -1.656 . . . . 63.22 106.53 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -74.0 -47.69 35.44 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.657 -0.497 . . . . 75.24 109.657 171.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.1 mt 66.92 152.55 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.559 1.304 0 C-N-CA 125.131 1.372 . . . . 74.43 111.71 -176.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.581 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 41.0 t -77.51 110.6 12.42 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 108.906 -0.776 . . . . 53.24 108.906 174.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -58.76 -16.89 18.88 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 125.141 1.376 . . . . 74.44 113.519 -171.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.5 mt -101.02 -39.76 7.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 123.292 0.637 . . . . 45.5 111.121 -175.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.537 ' HG ' ' HG ' ' A' ' 67' ' ' CYS . 32.1 p -105.27 2.4 28.95 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.945 -0.472 . . . . 62.32 112.269 -171.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 75.85 -21.54 0.31 Allowed 'General case' 0 N--CA 1.499 1.98 0 C-N-CA 125.071 1.348 . . . . 72.34 113.76 170.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -114.54 148.33 38.12 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 121.612 -0.68 . . . . 74.4 110.753 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.96 47.3 1.39 Allowed Glycine 0 C--N 1.344 1.0 0 CA-C-N 115.285 -0.87 . . . . 61.14 111.142 173.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -94.94 160.18 14.7 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.37 1.068 . . . . 72.3 108.626 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.0 t 58.07 55.89 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 CA-C-O 122.548 1.166 . . . . 74.32 108.81 -174.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 53' ' ' MET . 34.3 mt-10 -63.43 -23.6 67.47 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 114.034 -1.439 . . . . 72.34 112.916 -173.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -72.76 -21.3 61.03 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.255 0.622 . . . . 75.43 112.007 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.4 t -96.54 -5.41 39.4 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 122.757 0.423 . . . . 74.32 111.965 -177.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.563 ' HA ' ' HA ' ' A' ' 64' ' ' HIS . 22.3 ptp -88.8 128.33 35.64 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-O 121.412 0.625 . . . . 61.22 109.796 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.484 ' HB3' ' HB3' ' A' ' 80' ' ' TRP . 87.2 mt -97.59 132.11 43.55 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.631 -1.168 . . . . 75.04 108.177 175.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.8 131.55 46.64 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 107.672 -1.233 . . . . 74.43 107.672 -175.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 41.2 t -79.89 117.39 20.71 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 122.952 0.501 . . . . 74.54 109.996 176.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.36 -36.32 81.88 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.113 0.965 . . . . 72.53 111.164 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -93.51 25.01 23.02 Favored Glycine 0 C--N 1.354 1.543 0 CA-C-N 115.716 -0.674 . . . . 61.41 113.732 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.585 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 76.2 m -150.56 -169.37 3.37 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.83 1.252 . . . . 73.44 108.379 173.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -116.21 -4.35 11.92 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.708 0.803 . . . . 72.15 110.13 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -92.56 154.64 18.3 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.334 0.654 . . . . 74.25 111.56 -165.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.5 p -118.16 127.93 54.23 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.689 1.196 . . . . 61.23 109.957 175.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -126.18 125.2 42.07 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.925 0.89 . . . . 75.42 109.541 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.682 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 49.4 m80 -67.14 152.64 45.4 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.351 0.26 . . . . 74.32 110.64 174.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.9 p -59.49 -42.63 92.57 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 124.291 0.994 . . . . 44.12 110.735 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -79.93 -30.65 39.98 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.803 0.841 . . . . 64.13 112.678 -177.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.682 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 88.6 m -64.5 -27.79 69.21 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.072 0.549 . . . . 64.03 111.906 178.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.6 mt -76.93 137.5 39.13 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.247 0.619 . . . . 75.41 110.056 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.6 mp -121.25 118.18 30.17 Favored Pre-proline 0 CA--C 1.56 1.357 0 N-CA-C 108.388 -0.967 . . . . 72.2 108.388 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.03 146.84 85.91 Favored 'Cis proline' 0 C--N 1.385 2.48 0 CA-C-N 120.509 1.218 . . . . 54.53 111.697 -3.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.05 147.0 91.72 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.304 2.003 . . . . 64.15 112.294 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.43 HD12 HD12 ' A' ' 54' ' ' LEU . 72.8 mt -74.07 79.19 1.72 Allowed 'General case' 0 C--O 1.238 0.492 0 N-CA-C 108.88 -0.785 . . . . 74.44 108.88 174.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 59.9 p -69.58 -30.47 68.25 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 108.899 -0.778 . . . . 74.5 108.899 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.9 p -96.86 108.56 21.27 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.299 -0.864 . . . . 64.41 109.109 163.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 63.3 mt -83.92 126.47 70.33 Favored Pre-proline 0 CA--C 1.546 0.826 0 CA-C-N 114.685 -1.143 . . . . 73.44 108.315 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -78.85 71.43 6.97 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.692 2.261 . . . . 73.4 113.629 -169.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? 72.5 -36.58 0.36 Allowed 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 125.866 1.667 . . . . 65.43 114.05 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.54 -47.53 0.39 Allowed Glycine 0 C--N 1.34 0.803 0 N-CA-C 110.763 -0.935 . . . . 52.43 110.763 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.64 144.48 26.64 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.956 0.902 . . . . 73.25 110.152 178.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.484 ' HB3' ' HB3' ' A' ' 54' ' ' LEU . 60.4 t90 -141.59 143.13 33.54 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.577 0.751 . . . . 74.31 110.375 -172.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.2 mt -103.28 135.61 44.6 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.282 0.633 . . . . 75.24 109.429 171.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 29.7 p -65.98 148.48 98.32 Favored Pre-proline 0 CA--C 1.548 0.871 0 O-C-N 123.945 0.778 . . . . 75.42 110.777 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.452 ' O ' HG23 ' A' ' 87' ' ' VAL . 88.9 Cg_exo -47.26 -34.71 18.86 Favored 'Trans proline' 0 C--N 1.381 2.256 0 C-N-CA 123.623 2.882 . . . . 73.34 113.028 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -57.31 -48.48 78.84 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.867 1.267 . . . . 74.31 111.452 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 80.1 m -65.63 -35.88 82.08 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.481 0.712 . . . . 54.12 111.2 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.0 t -72.64 -25.36 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 CA-C-N 114.31 -1.314 . . . . 64.21 111.489 -178.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 83' ' ' PRO . 78.3 t . . . . . 0 N--CA 1.493 1.7 0 C-N-CA 123.347 0.659 . . . . 72.44 111.058 175.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt . . . . . 0 C--O 1.236 0.35 0 CA-C-O 120.727 0.298 . . . . 74.03 110.957 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.454 ' HE1' ' HG ' ' A' ' 55' ' ' LEU . 89.5 m-85 -79.17 79.56 5.58 Favored 'General case' 0 C--N 1.348 0.51 0 N-CA-C 108.544 -0.91 . . . . 75.41 108.544 170.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 83.5 mt -104.76 124.15 59.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 108.371 -0.974 . . . . 74.04 108.371 178.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.759 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 47.0 t -71.85 112.12 7.68 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 109.119 -0.697 . . . . 64.32 109.119 175.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -69.57 1.5 4.03 Favored 'General case' 0 CA--C 1.561 1.388 0 N-CA-C 113.45 0.908 . . . . 75.24 113.45 -173.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.403 HG13 ' HE1' ' A' ' 63' ' ' TYR . 75.3 mt -113.08 -29.55 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.926 0.89 . . . . 62.32 110.593 174.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.516 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 56.6 m -95.9 -23.98 16.63 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 112.171 0.434 . . . . 72.14 112.171 -175.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 t30 72.36 -50.76 0.7 Allowed 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 125.625 1.57 . . . . 73.31 111.201 -167.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -75.52 128.3 34.99 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 123.877 0.871 . . . . 53.4 111.321 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.21 40.81 2.45 Favored Glycine 0 C--N 1.349 1.272 0 N-CA-C 111.126 -0.789 . . . . 74.51 111.126 172.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -64.03 -53.05 56.09 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 125.475 1.51 . . . . 73.44 110.651 -174.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.9 t -92.1 73.54 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 CA-C-N 115.185 -0.916 . . . . 74.43 109.463 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -69.79 -31.94 70.14 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.896 0.479 . . . . 75.41 110.911 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -64.29 -35.11 79.78 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.667 0.787 . . . . 61.13 112.421 -177.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -101.27 20.22 16.22 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.118 0.485 . . . . 54.44 110.021 178.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.507 ' SD ' ' HB3' ' A' ' 62' ' ' SER . 45.0 ttm -105.18 138.08 41.94 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.936 0.894 . . . . 74.1 109.078 175.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.42 HD11 ' HD2' ' A' ' 76' ' ' PRO . 93.9 mt -106.91 157.07 18.05 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.143 0.977 . . . . 72.51 110.065 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.454 ' HG ' ' HE1' ' A' ' 39' ' ' TYR . 3.4 tm? -128.78 139.98 51.93 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 107.761 -1.199 . . . . 74.43 107.761 -175.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.504 ' SG ' ' HB3' ' A' ' 82' ' ' CYS . 74.3 m -82.48 125.64 31.33 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.518 0.727 . . . . 54.34 111.932 -176.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -68.91 -31.86 71.07 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.367 0.667 . . . . 72.34 111.121 171.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.31 -75.28 1.28 Allowed Glycine 0 C--N 1.35 1.316 0 CA-C-N 115.707 -0.679 . . . . 51.32 113.127 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.8 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 31.1 p -82.32 -178.84 7.2 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.795 0.838 . . . . 41.15 111.797 -177.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -114.65 102.78 10.35 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.073 0.949 . . . . 73.53 109.964 -178.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.426 ' OD2' ' SG ' ' A' ' 59' ' ' CYS . 1.5 p30 -177.5 161.34 1.72 Allowed 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 124.766 1.226 . . . . 73.52 109.429 177.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.507 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 28.5 m -129.07 143.04 50.73 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 124.015 0.926 . . . . 45.35 109.24 172.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.403 ' HE1' HG13 ' A' ' 43' ' ' ILE . 70.1 m-85 -146.13 139.27 25.84 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.592 0.757 . . . . 71.43 109.988 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.763 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 35.5 m80 -74.81 144.52 43.47 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 108.334 -0.988 . . . . 70.31 108.334 171.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.44 HG21 HG12 ' A' ' 75' ' ' ILE . 43.0 p -59.35 -46.75 87.78 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 124.161 0.913 . . . . 65.01 111.426 177.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -70.83 -24.3 62.51 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.121 -0.945 . . . . 75.52 112.998 -178.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.763 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 17.1 p -97.01 20.79 10.66 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.089 0.471 . . . . 71.31 111.535 -177.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.8 mt -108.84 159.53 16.71 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.116 0.966 . . . . 71.45 109.786 173.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.2 mt -127.37 114.35 21.36 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 123.382 0.673 . . . . 74.11 109.231 173.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -74.86 141.87 73.06 Favored 'Cis proline' 0 C--N 1.382 2.336 0 C-N-CA 124.448 -1.063 . . . . 74.32 112.424 -1.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.56 133.4 29.82 Favored 'Trans proline' 0 C--N 1.382 2.309 0 C-N-CA 122.53 2.154 . . . . 72.0 111.806 -177.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.9 mt -83.13 76.37 9.86 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.485 0.66 . . . . 74.31 109.46 -177.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.7 p -60.09 -35.06 74.36 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.922 -1.036 . . . . 70.22 110.385 175.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.4 m -89.0 104.41 16.95 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 107.834 -1.172 . . . . 71.52 107.834 165.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.44 HG12 HG21 ' A' ' 65' ' ' THR . 51.0 mt -90.12 124.01 64.39 Favored Pre-proline 0 N--CA 1.475 0.795 0 C-N-CA 124.466 1.107 . . . . 61.41 109.999 -175.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.42 ' HD2' HD11 ' A' ' 54' ' ' LEU . 85.8 Cg_endo -91.01 96.17 0.23 Allowed 'Trans proline' 0 C--N 1.374 1.875 0 C-N-CA 122.744 2.296 . . . . 64.54 111.137 169.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -71.27 66.03 0.43 Allowed 'General case' 0 CA--C 1.565 1.522 0 CA-C-O 121.335 0.588 . . . . 74.42 111.956 176.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -158.65 -158.92 9.3 Favored Glycine 0 C--N 1.342 0.911 0 N-CA-C 110.797 -0.921 . . . . 65.31 110.797 165.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -61.01 104.1 0.33 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.438 0.695 . . . . 73.1 110.58 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.426 ' O ' ' HA ' ' A' ' 56' ' ' CYS . 65.3 t90 -106.58 155.56 19.5 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.229 1.012 . . . . 74.44 109.44 -179.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.1 mt -119.21 127.38 53.22 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.579 0.752 . . . . 54.23 109.471 177.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.8 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 16.4 p -83.65 167.51 27.93 Favored Pre-proline 0 N--CA 1.477 0.896 0 C-N-CA 123.026 0.53 . . . . 72.14 110.105 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -42.42 -40.12 6.99 Favored 'Trans proline' 0 C--N 1.378 2.098 0 C-N-CA 122.909 2.406 . . . . 75.44 113.638 168.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.696 HH11 ' HB2' ' A' ' 59' ' ' CYS . 60.5 ttt-85 -62.29 -42.63 99.52 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.255 0.622 . . . . 65.32 111.509 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.667 ' HG ' ' HG ' ' A' ' 59' ' ' CYS . 69.8 m -59.18 -45.08 91.98 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.173 0.511 . . . . 71.43 110.659 175.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 43.8 t -67.96 -33.07 59.1 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.161 0 CA-C-N 114.782 -1.099 . . . . 61.53 111.202 -177.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 52.9 t . . . . . 0 N--CA 1.482 1.139 0 C-N-CA 123.228 0.611 . . . . 62.43 111.437 178.013 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.8 pttt . . . . . 0 C--O 1.24 0.597 0 CA-C-O 121.164 0.507 . . . . 75.45 109.872 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -118.78 -60.44 1.76 Allowed 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.539 -0.911 . . . . 65.15 108.539 170.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.477 HG23 ' O ' ' A' ' 45' ' ' ASN . 28.3 mt 65.26 136.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 124.836 1.335 . . . . 71.35 110.476 -175.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.853 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 42.7 t -75.9 122.3 23.93 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 109.018 -0.734 . . . . 63.44 109.018 -179.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -58.9 -23.38 61.05 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.336 1.055 . . . . 73.22 112.068 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.527 HD13 ' HB3' ' A' ' 67' ' ' CYS . 3.3 mp -108.09 -51.18 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.383 0.673 . . . . 73.04 110.338 -171.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.709 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 26.2 p -118.63 23.24 11.6 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 111.987 0.366 . . . . 71.1 111.987 -166.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.477 ' O ' HG23 ' A' ' 40' ' ' ILE . 41.3 m-80 75.42 -65.73 0.32 Allowed 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 125.859 1.663 . . . . 72.33 112.971 167.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -59.83 124.52 20.43 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.892 0.877 . . . . 62.11 112.822 -165.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.06 40.33 2.45 Favored Glycine 0 C--N 1.349 1.282 0 N-CA-C 109.033 -1.627 . . . . 71.22 109.033 170.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -97.15 -50.98 4.38 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 125.878 1.671 . . . . 65.42 109.093 -172.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.5 t -85.73 70.52 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 115.061 -0.972 . . . . 71.31 108.72 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -78.64 -20.77 49.55 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.418 -0.81 . . . . 75.42 111.069 -177.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.23 -34.62 78.51 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.27 0.628 . . . . 64.4 111.826 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.8 m -102.05 2.76 38.03 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.278 0.631 . . . . 70.54 110.39 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.426 ' HA ' ' HA ' ' A' ' 64' ' ' HIS . 51.5 ttm -86.57 113.31 22.37 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 123.017 0.527 . . . . 72.33 110.228 177.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 mp -87.19 127.8 35.15 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 107.977 -1.12 . . . . 51.42 107.977 175.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -99.75 125.62 45.68 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 106.695 -1.595 . . . . 61.54 106.695 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.896 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 19.8 t -82.34 119.05 23.65 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.013 0.525 . . . . 72.31 110.945 -173.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.58 -35.23 63.02 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.362 1.065 . . . . 62.22 111.401 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.02 7.64 59.31 Favored Glycine 0 C--N 1.348 1.213 0 N-CA-C 115.112 0.805 . . . . 71.33 115.112 -178.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.612 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 22.2 p -159.69 -158.11 0.63 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 108.412 -0.959 . . . . 73.11 108.412 177.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -101.1 -24.91 14.21 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.073 0.949 . . . . 74.41 109.85 177.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.55 158.17 15.68 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.053 0.941 . . . . 74.12 112.837 -165.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.1 t -141.74 123.11 14.87 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.006 0.922 . . . . 72.12 109.42 -175.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.428 ' CE2' HD11 ' A' ' 43' ' ' ILE . 36.5 m-85 -122.72 166.13 15.42 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.044 1.338 . . . . 72.35 109.883 -176.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.728 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 32.5 m80 -99.17 178.24 4.98 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 108.987 -0.746 . . . . 70.13 108.987 164.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.5 p -60.14 -52.59 64.68 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 114.634 -1.166 . . . . 63.41 108.807 161.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -95.28 73.55 3.33 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.25 1.02 . . . . 73.21 109.737 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.853 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 55.5 m -148.88 -13.97 0.32 Allowed 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 115.022 -0.99 . . . . 72.34 111.909 175.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 mp -110.61 179.88 3.95 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.035 0.534 . . . . 61.23 110.376 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . 1.5 pt? -132.78 113.32 13.88 Favored Pre-proline 0 CA--C 1.554 1.113 0 N-CA-C 108.494 -0.928 . . . . 65.21 108.494 173.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 69' ' ' LEU . 91.3 Cg_endo -78.24 142.71 70.59 Favored 'Cis proline' 0 C--N 1.375 1.923 0 C-N-CA 123.464 -1.473 . . . . 71.22 112.909 -2.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.99 127.22 23.49 Favored 'Trans proline' 0 C--N 1.383 2.363 0 C-N-CA 122.682 2.255 . . . . 74.44 111.748 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.82 111.07 2.29 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.626 0.77 . . . . 64.32 110.959 -174.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.2 t -74.5 -23.38 58.84 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.954 -0.566 . . . . 63.45 111.25 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.8 m -128.99 152.26 48.79 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.809 0.844 . . . . 74.12 110.557 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.2 mm -77.95 115.76 53.05 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 123.15 0.58 . . . . 72.14 109.452 172.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -80.16 86.92 1.58 Allowed 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.426 2.084 . . . . 72.25 110.838 175.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 91.1 mttt 73.49 -68.17 0.23 Allowed 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 126.06 1.744 . . . . 51.45 111.206 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 151.96 -45.62 0.61 Allowed Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 107.804 -2.118 . . . . 75.45 107.804 -174.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.45 80.8 1.92 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 121.88 0.848 . . . . 44.12 109.363 169.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 61.4 t90 -106.33 124.96 50.4 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 108.046 -1.094 . . . . 74.14 108.046 177.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.6 mt -94.38 122.17 36.67 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 108.835 -0.802 . . . . 63.42 108.835 176.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.612 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 27.4 p -66.51 158.95 76.54 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 123.232 0.613 . . . . 64.2 110.184 170.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.81 -18.57 49.7 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.328 2.019 . . . . 74.41 113.244 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.539 ' HB3' ' SG ' ' A' ' 82' ' ' CYS . 75.4 ttt180 -63.18 -36.16 82.7 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.569 0.748 . . . . 74.42 111.32 174.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.896 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 45.2 m -77.38 -37.41 52.14 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.452 0.701 . . . . 73.22 111.807 -176.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.6 t -83.64 -39.0 14.68 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 CA-C-N 115.322 -0.854 . . . . 62.51 110.43 -174.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.483 1.199 0 C-N-CA 123.163 0.585 . . . . 43.13 110.593 -177.886 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.457 ' HB3' HG13 ' A' ' 40' ' ' ILE . 36.0 tttt . . . . . 0 CA--C 1.557 1.225 0 N-CA-C 107.352 -1.351 . . . . 72.54 107.352 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 56.43 32.81 21.35 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 115.112 -0.949 . . . . 65.34 110.171 -164.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.457 HG13 ' HB3' ' A' ' 38' ' ' LYS . 59.9 mt -77.42 125.28 37.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 CA-C-N 114.714 -1.13 . . . . 73.51 109.954 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.579 ' H ' ' HA2' ' A' ' 47' ' ' GLY . 52.3 t -54.84 116.24 2.62 Favored 'General case' 0 C--O 1.241 0.629 0 O-C-N 124.416 1.072 . . . . 60.51 110.045 176.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -65.77 -3.54 5.1 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 125.443 1.497 . . . . 74.12 112.58 -172.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.4 mt -113.29 -32.37 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.225 0 C-N-CA 124.114 0.966 . . . . 73.53 110.499 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.813 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 73.8 m -86.15 -23.47 26.55 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 112.925 0.713 . . . . 63.32 112.925 -173.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.5 t30 76.31 -24.24 0.22 Allowed 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 125.007 1.323 . . . . 72.45 112.761 -178.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -100.9 -44.78 5.65 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.568 0.747 . . . . 74.44 110.745 -174.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.579 ' HA2' ' H ' ' A' ' 41' ' ' CYS . . . 95.21 -86.07 0.98 Allowed Glycine 0 C--N 1.345 1.065 0 N-CA-C 110.552 -1.019 . . . . 51.33 110.552 -175.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.1 t70 57.54 -81.96 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 124.707 1.203 . . . . 60.32 113.891 169.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.412 ' O ' ' HB2' ' A' ' 53' ' ' MET . 52.1 t -57.74 94.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.212 0 C-N-CA 124.867 1.267 . . . . 73.1 110.385 -175.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -80.77 -33.05 35.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.263 1.025 . . . . 62.44 111.268 -171.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -72.99 -24.36 60.75 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.282 0.845 . . . . 74.35 113.282 -177.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.1 m -109.04 9.13 26.4 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 118.145 0.429 . . . . 42.11 110.179 175.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 53.6 ttm -78.08 102.05 7.28 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 123.502 0.721 . . . . 75.4 109.271 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.7 mt -85.16 137.75 32.82 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.154 0.982 . . . . 64.42 108.974 176.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -118.14 112.82 20.68 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 106.756 -1.572 . . . . 62.02 106.756 173.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.513 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 49.5 t -60.37 113.29 2.32 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 123.949 0.781 . . . . 71.32 109.959 174.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -80.82 -6.21 58.26 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 121.297 0.57 . . . . 75.13 110.595 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.463 ' O ' ' SG ' ' A' ' 59' ' ' CYS . . . -113.69 30.53 7.14 Favored Glycine 0 C--N 1.346 1.133 0 CA-C-N 115.652 -0.704 . . . . 63.44 113.815 175.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 85.1 m -165.98 -34.14 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.642 0.777 . . . . 75.44 110.565 176.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 63.09 70.68 0.54 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.823 1.249 . . . . 63.34 109.888 -167.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -144.99 139.98 27.86 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 107.547 -1.279 . . . . 43.44 107.547 172.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.8 p -104.74 124.97 50.33 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.86 0.864 . . . . 71.34 110.924 -173.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -129.25 -178.43 4.65 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.534 1.134 . . . . 73.1 109.189 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.691 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 34.5 m170 -115.66 161.28 18.9 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.61 -0.723 . . . . 70.4 109.842 165.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.64 HG21 HG12 ' A' ' 75' ' ' ILE . 19.4 p -63.26 -46.91 84.69 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.734 1.271 . . . . 64.0 110.859 172.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.448 ' HA ' ' HB3' ' A' ' 71' ' ' PRO . 46.3 p90 -79.29 -17.21 55.09 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.985 0.914 . . . . 73.11 112.99 -175.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.813 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 95.6 m -71.17 -38.47 72.16 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.955 0.502 . . . . 52.13 111.051 176.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.9 mt -72.18 146.2 47.54 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 124.077 0.86 . . . . 61.33 110.18 173.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 pp -128.03 129.11 23.72 Favored Pre-proline 0 N--CA 1.481 1.079 0 CA-C-O 119.412 -0.327 . . . . 70.03 110.573 175.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -70.73 137.29 45.3 Favored 'Cis proline' 0 C--N 1.382 2.317 0 CA-C-N 119.94 1.014 . . . . 64.23 112.141 -1.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.448 ' HB3' ' HA ' ' A' ' 66' ' ' PHE . 38.2 Cg_endo -63.77 146.62 92.17 Favored 'Trans proline' 0 C--N 1.376 1.982 0 C-N-CA 123.184 2.589 . . . . 72.02 113.53 -169.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.1 mt -81.59 89.23 6.2 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.19 0.596 . . . . 61.5 109.522 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.0 p -65.88 -20.98 66.42 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.25 0.62 . . . . 74.45 111.588 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.2 m -95.67 112.85 24.48 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 107.728 -1.212 . . . . 71.34 107.728 165.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.64 HG12 HG21 ' A' ' 65' ' ' THR . 35.7 mt -86.88 112.39 46.95 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 123.751 0.82 . . . . 75.13 109.743 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -57.31 138.69 87.4 Favored 'Trans proline' 0 C--N 1.383 2.357 0 C-N-CA 122.663 2.242 . . . . 51.51 111.761 172.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -77.12 86.89 3.59 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 122.895 0.478 . . . . 74.35 109.74 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.36 -75.68 0.81 Allowed Glycine 0 C--N 1.346 1.108 0 CA-C-N 115.28 -0.873 . . . . 32.34 113.28 177.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -63.02 88.33 0.03 OUTLIER 'General case' 0 C--N 1.351 0.636 0 C-N-CA 124.594 1.157 . . . . 75.22 109.874 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.418 ' O ' ' HA ' ' A' ' 56' ' ' CYS . 37.1 t90 -106.61 150.8 25.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.966 -1.016 . . . . 73.21 109.126 174.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.1 mt -113.86 125.71 54.36 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 108.35 -0.981 . . . . 74.3 108.35 171.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 26.3 p -67.06 164.02 39.55 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 124.054 0.942 . . . . 35.24 111.547 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -52.36 -26.44 27.68 Favored 'Trans proline' 0 C--N 1.382 2.318 0 C-N-CA 122.642 2.228 . . . . 74.03 112.503 167.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.584 ' HB2' ' SG ' ' A' ' 82' ' ' CYS . 82.4 mtt-85 -76.43 -19.36 58.16 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.335 1.054 . . . . 74.33 112.26 177.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.581 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 80.0 m -85.0 -39.77 17.66 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.058 0.543 . . . . 62.53 110.952 171.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.62 -43.21 83.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 CA-C-N 115.241 -0.89 . . . . 75.33 111.458 -177.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.486 1.35 0 C-N-CA 123.94 0.896 . . . . 73.41 110.663 -176.635 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt . . . . . 0 N--CA 1.469 0.479 0 N-CA-C 106.765 -1.568 . . . . 64.33 106.765 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -140.35 -64.47 0.47 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 113.426 -1.715 . . . . 74.34 108.202 163.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.3 mt 67.2 115.38 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 125.369 1.468 . . . . 74.34 110.888 -173.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.588 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 30.9 t -79.83 105.95 11.49 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 108.324 -0.991 . . . . 64.2 108.324 178.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -50.83 -47.51 60.12 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 124.931 1.395 . . . . 75.42 113.888 -166.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.457 HG13 ' HE1' ' A' ' 63' ' ' TYR . 60.5 mt -60.44 -45.25 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 112.57 0.582 . . . . 53.44 112.57 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.731 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 30.3 p -101.8 -12.43 18.32 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 112.442 0.534 . . . . 74.42 112.442 -167.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.5 t30 69.67 -3.97 1.53 Allowed 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.778 1.231 . . . . 61.11 112.271 -175.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.527 ' HB2' ' HE1' ' A' ' 64' ' ' HIS . 24.1 mmt-85 -76.52 122.09 24.08 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 121.374 -0.829 . . . . 72.11 109.824 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -118.89 9.08 12.53 Favored Glycine 0 N--CA 1.481 1.678 0 CA-C-O 119.908 -0.384 . . . . 71.33 113.883 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -93.37 -47.44 6.88 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.313 0.645 . . . . 72.34 110.898 -175.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 78.7 t -74.81 85.6 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.489 0.661 . . . . 73.44 110.174 -177.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -77.09 -22.96 51.97 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.824 -0.625 . . . . 64.22 111.049 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -61.55 -37.1 82.58 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.097 0.959 . . . . 63.31 113.398 -177.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.5 p -103.8 7.29 37.06 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-N 118.267 0.485 . . . . 74.11 111.161 176.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 53.4 ttm -85.91 106.65 17.26 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 123.573 0.749 . . . . 75.42 110.276 -174.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.3 mt -86.32 156.72 20.11 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.785 1.234 . . . . 74.42 110.061 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.17 138.5 53.57 Favored 'General case' 0 C--O 1.244 0.773 0 N-CA-C 107.036 -1.468 . . . . 43.13 107.036 175.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.729 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 52.9 t -71.1 126.48 29.71 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 110.253 -0.277 . . . . 74.02 110.253 177.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.49 ' HB2' ' HB3' ' A' ' 79' ' ' GLU . 12.5 t70 -60.93 -42.72 98.71 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.188 0.995 . . . . 75.51 110.987 177.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -97.32 22.97 37.92 Favored Glycine 0 C--N 1.35 1.331 0 CA-C-N 115.348 -0.842 . . . . 62.1 114.3 -173.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.729 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 11.4 p -176.83 -159.7 0.06 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.991 0.916 . . . . 62.54 109.862 175.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -129.46 103.74 7.07 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 123.8 0.84 . . . . 54.51 108.895 177.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -167.37 153.82 8.1 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 123.36 0.664 . . . . 64.52 109.222 169.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.0 p -111.52 126.88 55.44 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.762 0.825 . . . . 63.54 110.994 -178.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.457 ' HE1' HG13 ' A' ' 43' ' ' ILE . 96.9 m-85 -136.99 138.65 40.76 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.464 1.106 . . . . 73.33 109.093 176.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.74 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 39.6 m80 -84.84 168.25 15.28 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 110.195 -0.298 . . . . 63.01 110.195 176.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.3 p -60.36 -52.26 66.01 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.206 1.002 . . . . 72.41 111.326 173.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -72.38 -23.83 61.17 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.047 0.939 . . . . 70.44 113.14 -176.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.74 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 60.0 m -70.32 -17.92 63.08 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.182 0.593 . . . . 61.35 112.182 177.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.5 mt -107.01 161.44 14.73 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.939 0.896 . . . . 71.25 109.674 177.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.516 ' H ' HD23 ' A' ' 69' ' ' LEU . 1.9 pt? -123.45 125.73 26.01 Favored Pre-proline 0 CA--C 1.552 1.043 0 N-CA-C 108.978 -0.749 . . . . 72.43 108.978 173.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -77.24 138.54 53.97 Favored 'Cis proline' 0 C--N 1.378 2.124 0 C-N-CA 124.356 -1.101 . . . . 75.52 112.548 5.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -55.41 101.29 0.08 OUTLIER 'Trans proline' 0 C--N 1.383 2.354 0 C-N-CA 123.006 2.471 . . . . 63.02 110.881 176.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.6 mt -57.35 114.23 2.1 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.621 1.168 . . . . 61.3 110.703 -169.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 m -64.05 -19.32 65.13 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.205 1.002 . . . . 73.13 111.666 -175.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.8 m -149.73 173.72 13.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.715 1.206 . . . . 71.34 109.377 176.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.4 mm -63.7 126.47 89.82 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 123.582 0.753 . . . . 75.44 109.965 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -70.43 83.27 0.83 Allowed 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 122.84 2.36 . . . . 73.22 111.454 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.4 tttt 68.53 -70.57 0.13 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.732 1.613 . . . . 73.22 111.026 -177.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -164.99 -74.76 0.03 OUTLIER Glycine 0 C--N 1.343 0.939 0 N-CA-C 110.223 -1.151 . . . . 73.32 110.223 173.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.49 ' HB3' ' HB2' ' A' ' 57' ' ' ASP . 6.9 mp0 -84.34 130.17 34.82 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.696 0.798 . . . . 72.14 109.024 175.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.47 ' O ' ' HA ' ' A' ' 56' ' ' CYS . 65.2 t90 -103.53 139.59 38.66 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.664 0.786 . . . . 72.32 109.871 -179.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.436 HD23 ' HB3' ' A' ' 57' ' ' ASP . 95.3 mt -94.79 128.61 41.64 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.883 0.873 . . . . 70.31 109.719 175.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.688 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 31.4 p -67.51 158.17 83.36 Favored Pre-proline 0 N--CA 1.476 0.867 0 CA-C-O 119.166 -0.445 . . . . 73.03 110.395 174.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -50.68 -31.92 34.13 Favored 'Trans proline' 0 C--N 1.383 2.364 0 C-N-CA 122.961 2.44 . . . . 72.2 114.16 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.509 ' NH2' ' HB ' ' A' ' 87' ' ' VAL . 6.2 tpm_? -74.78 -30.27 61.39 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.416 0.686 . . . . 63.13 111.071 177.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.688 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 89.9 m -74.61 -33.51 62.62 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.419 0.688 . . . . 74.41 111.395 175.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.4 t -50.13 -55.85 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.677 0.791 . . . . 62.32 110.592 173.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.509 ' HB ' ' NH2' ' A' ' 84' ' ' ARG . 22.0 t . . . . . 0 C--O 1.244 0.766 0 N-CA-C 108.212 -1.033 . . . . 75.54 108.212 169.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 109.594 -0.521 . . . . 73.55 109.594 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 55.76 71.32 0.56 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.414 1.086 . . . . 75.43 111.117 178.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.5 mt -117.24 149.31 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.541 1.137 . . . . 51.42 109.85 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 53.5 t -62.17 115.68 4.34 Favored 'General case' 0 C--N 1.359 1.022 0 C-N-CA 123.803 0.841 . . . . 60.43 109.508 178.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -65.51 -19.69 66.03 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 124.61 1.194 . . . . 52.43 111.375 -175.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.2 mt -84.45 -38.91 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 C-N-CA 123.868 0.867 . . . . 74.41 109.927 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.795 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 53.8 m -88.1 -31.42 19.23 Favored 'General case' 0 C--O 1.252 1.212 0 N-CA-C 113.14 0.793 . . . . 52.44 113.14 -170.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 76.87 -43.72 0.45 Allowed 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 125.762 1.625 . . . . 75.24 111.266 -174.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -87.14 140.65 29.34 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.938 0.495 . . . . 73.54 109.8 170.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -124.45 45.9 1.14 Allowed Glycine 0 N--CA 1.472 1.052 0 CA-C-N 116.354 -0.385 . . . . 70.33 113.17 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.78 -54.1 40.5 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.355 0.662 . . . . 75.34 110.513 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.4 t -79.3 77.6 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-O 121.916 0.865 . . . . 75.31 109.2 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -75.99 -18.16 59.41 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 114.771 -1.104 . . . . 74.12 110.804 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -58.69 -35.06 72.02 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.106 0.562 . . . . 72.35 112.329 175.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 m -100.04 15.2 28.07 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.28 0.632 . . . . 72.13 111.582 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 41.9 tpp -81.72 111.72 18.23 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 109.266 -0.642 . . . . 75.41 109.266 -177.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 73.6 mt -93.97 130.3 40.13 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.847 -0.798 . . . . 71.35 108.847 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -100.04 119.06 37.7 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.56 -1.274 . . . . 53.51 107.56 177.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 43.7 t -70.16 106.56 3.33 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 108.966 -0.753 . . . . 64.41 108.966 174.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -58.43 -31.59 67.89 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.842 1.257 . . . . 74.23 111.086 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.45 32.47 6.21 Favored Glycine 0 C--N 1.347 1.153 0 CA-C-N 115.4 -0.818 . . . . 73.31 113.191 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.692 ' HG ' ' HG ' ' A' ' 56' ' ' CYS . 72.8 m -152.22 -91.67 0.05 Allowed 'General case' 0 CA--C 1.562 1.417 0 C-N-CA 123.933 0.893 . . . . 74.21 110.876 174.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.0 t70 143.27 -26.99 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 126.55 1.94 . . . . 75.22 108.585 -157.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.86 158.8 33.83 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.667 0.787 . . . . 71.25 110.663 -178.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.2 m -130.33 142.18 50.55 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.748 0.819 . . . . 71.03 110.379 -177.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -144.11 139.15 28.7 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.769 1.228 . . . . 74.53 108.788 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.637 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 45.2 m170 -72.55 146.65 46.59 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 118.261 0.482 . . . . 71.4 110.102 172.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 17.9 p -50.52 -55.64 15.17 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 124.339 1.024 . . . . 73.33 111.225 172.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -78.24 -12.9 60.03 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.586 -1.188 . . . . 62.15 113.767 -171.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.795 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 65.9 m -90.32 -21.77 21.87 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.096 0.558 . . . . 73.24 111.624 -177.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.7 mt -73.92 161.85 29.69 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.514 0.726 . . . . 74.13 110.076 174.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.1 mt -121.83 123.44 27.41 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 108.923 -0.769 . . . . 64.0 108.923 173.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -73.89 138.97 58.87 Favored 'Cis proline' 0 C--N 1.389 2.669 0 CA-C-N 119.882 0.994 . . . . 71.12 111.767 -5.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.96 134.84 64.95 Favored 'Trans proline' 0 C--N 1.38 2.187 0 C-N-CA 122.943 2.429 . . . . 73.45 112.315 -178.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.4 ' O ' ' HB ' ' A' ' 65' ' ' THR . 53.5 mt -86.58 117.63 25.47 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 107.828 -1.175 . . . . 50.04 107.828 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 m -72.33 -16.64 61.88 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 123.286 0.635 . . . . 70.01 111.542 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 56.4 p -138.26 148.08 44.33 Favored 'General case' 0 C--O 1.244 0.79 0 C-N-CA 124.16 0.984 . . . . 54.43 110.171 -173.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.625 HG22 ' H ' ' A' ' 77' ' ' LYS . 70.6 mt -91.58 129.36 43.02 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 124.587 1.155 . . . . 73.41 109.079 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.46 -5.91 16.3 Favored 'Trans proline' 0 C--N 1.384 2.436 0 C-N-CA 123.085 2.523 . . . . 63.33 113.956 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.625 ' H ' HG22 ' A' ' 75' ' ' ILE . 97.1 mttt 53.9 13.66 0.57 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 125.916 1.686 . . . . 65.52 115.123 178.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.34 -125.76 0.8 Allowed Glycine 0 C--N 1.342 0.907 0 CA-C-O 119.187 -0.785 . . . . 73.34 111.24 -178.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -63.79 101.52 0.37 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.663 0.785 . . . . 64.45 111.319 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -112.32 143.03 44.1 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 107.834 -1.173 . . . . 75.12 107.834 169.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.9 mt -118.34 134.56 54.94 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.813 -0.81 . . . . 64.03 108.813 177.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.686 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 28.1 p -67.23 157.07 86.51 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 123.51 0.724 . . . . 63.21 110.64 175.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.42 ' O ' HG23 ' A' ' 87' ' ' VAL . 81.8 Cg_exo -50.21 -32.7 33.41 Favored 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 122.649 2.233 . . . . 72.14 113.171 172.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.433 ' HB3' ' SG ' ' A' ' 82' ' ' CYS . 57.2 ttm-85 -62.21 -37.49 85.52 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.996 0.918 . . . . 74.02 111.521 177.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 78.5 m -64.53 -32.21 73.76 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 120.99 0.424 . . . . 73.43 111.686 177.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.6 t -76.66 -37.03 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 CA-C-N 115.341 -0.845 . . . . 74.32 110.613 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 83' ' ' PRO . 86.9 t . . . . . 0 N--CA 1.487 1.378 0 C-N-CA 123.454 0.701 . . . . 64.31 111.118 177.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp . . . . . 0 N--CA 1.474 0.735 0 N-CA-C 108.264 -1.013 . . . . 65.42 108.264 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -57.88 99.89 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 114.196 -1.365 . . . . 74.54 112.818 -164.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.7 mt -73.11 131.69 34.51 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 CA-C-N 114.677 -1.147 . . . . 55.41 109.227 177.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.461 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 48.1 t -71.72 131.25 42.86 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 108.909 -0.774 . . . . 72.33 108.909 175.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -75.83 -9.21 58.41 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 122.676 0.39 . . . . 55.44 111.472 -175.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.8 mt -113.6 -44.59 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 123.668 0.787 . . . . 60.3 110.143 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.766 ' HG ' ' HG ' ' A' ' 67' ' ' CYS . 34.0 m -96.37 -27.43 14.94 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.431 0.692 . . . . 60.13 112.493 -171.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 75.55 -54.67 0.63 Allowed 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 125.547 1.539 . . . . 72.12 111.648 -169.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -90.84 116.9 29.03 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.149 0.58 . . . . 72.24 109.974 -172.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.81 72.7 1.41 Allowed Glycine 0 C--N 1.34 0.754 0 CA-C-N 116.032 -0.531 . . . . 72.13 112.315 177.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.89 -59.43 4.19 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.513 0.725 . . . . 73.14 109.319 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.4 t -88.02 84.1 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 115.021 -0.991 . . . . 73.01 108.563 172.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.29 -18.22 63.11 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 115.608 -0.723 . . . . 74.51 110.235 176.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -61.84 -36.39 81.03 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.093 0.957 . . . . 75.42 110.97 178.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.0 m -96.39 1.39 51.7 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.277 0.631 . . . . 73.11 110.888 -177.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 47.0 ttm -79.63 106.58 11.76 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 121.008 0.433 . . . . 70.11 110.008 -177.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.577 ' HB3' ' HB3' ' A' ' 80' ' ' TRP . 23.3 mt -86.22 135.77 33.44 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 125.226 1.41 . . . . 71.41 109.439 175.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -102.58 123.69 46.77 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.309 0.644 . . . . 74.55 110.393 -177.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.533 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 42.2 t -76.64 107.08 8.68 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 123.743 0.652 . . . . 73.12 109.74 175.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -54.61 -44.8 73.42 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.232 1.013 . . . . 74.52 111.118 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.22 42.91 1.82 Allowed Glycine 0 C--N 1.342 0.907 0 CA-C-N 115.577 -0.738 . . . . 64.23 113.455 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.559 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 87.4 m -157.18 -169.87 3.08 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.68 1.192 . . . . 63.11 108.628 169.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -108.67 4.41 23.83 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.396 1.078 . . . . 74.41 109.363 174.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.41 150.35 21.12 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 124.262 1.025 . . . . 75.41 111.246 -163.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.0 m -128.05 133.6 49.1 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.139 0.975 . . . . 74.33 108.718 173.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.428 ' HB2' ' HZ3' ' A' ' 80' ' ' TRP . 44.1 m-85 -127.26 151.71 48.37 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 107.847 -1.168 . . . . 73.45 107.847 178.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.506 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 43.1 m80 -89.69 161.93 15.84 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 107.879 -1.156 . . . . 72.15 107.879 170.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.603 HG21 HG12 ' A' ' 75' ' ' ILE . 42.2 p -59.56 -34.53 72.79 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 121.456 0.646 . . . . 63.42 110.066 175.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -105.24 30.82 5.32 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.02 0.928 . . . . 75.23 111.782 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.766 ' HG ' ' HG ' ' A' ' 44' ' ' CYS . 49.1 m -96.0 -4.86 42.41 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.257 0.623 . . . . 73.04 110.816 170.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.8 mt -111.13 162.24 15.12 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.211 0.604 . . . . 72.52 110.808 -170.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.8 mt -130.1 111.25 16.94 Favored Pre-proline 0 CA--C 1.558 1.278 0 C-N-CA 124.094 0.958 . . . . 72.32 109.468 176.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.61 147.19 88.76 Favored 'Cis proline' 0 C--N 1.375 1.946 0 CA-C-N 120.068 1.06 . . . . 51.21 111.701 -5.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.31 152.83 61.52 Favored 'Trans proline' 0 C--N 1.369 1.638 0 C-N-CA 122.969 2.446 . . . . 61.52 112.79 -173.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.439 ' O ' ' HB ' ' A' ' 65' ' ' THR . 51.2 mt -73.81 87.12 1.73 Allowed 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 108.612 -0.884 . . . . 71.25 108.612 172.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.4 p -65.76 -23.98 66.85 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.914 0.886 . . . . 72.15 110.98 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.2 m -104.79 132.48 50.98 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 124.009 0.924 . . . . 72.22 108.671 167.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.603 HG12 HG21 ' A' ' 65' ' ' THR . 55.9 mt -72.56 127.18 90.31 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 123.296 0.638 . . . . 74.34 109.376 174.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -66.4 -166.13 0.1 Allowed 'Trans proline' 0 C--N 1.374 1.9 0 C-N-CA 123.13 2.553 . . . . 71.41 113.753 177.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -82.16 79.74 8.57 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.58 0.752 . . . . 71.34 110.825 -171.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.36 -108.16 2.32 Favored Glycine 0 C--N 1.35 1.311 0 N-CA-C 111.871 -0.492 . . . . 51.13 111.871 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -76.71 156.68 32.32 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.296 0.638 . . . . 73.24 109.311 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.577 ' HB3' ' HB3' ' A' ' 54' ' ' LEU . 43.8 t90 -149.23 131.61 15.63 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.362 0.665 . . . . 73.31 110.02 -170.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.9 mt -76.19 133.51 40.15 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.322 0.649 . . . . 55.43 110.097 176.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 26.8 p -55.71 151.04 23.89 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 123.745 0.818 . . . . 72.33 110.611 174.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.471 ' O ' HG23 ' A' ' 87' ' ' VAL . 31.2 Cg_exo -58.75 -27.29 83.14 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.761 2.308 . . . . 73.11 112.213 -176.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -62.99 -38.34 90.78 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.978 1.311 . . . . 75.45 111.257 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 78.0 m -68.14 -35.05 77.46 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 123.257 0.623 . . . . 70.53 110.902 174.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.4 t -74.94 -34.65 33.32 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 C-N-CA 123.414 0.685 . . . . 75.54 111.047 -175.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 83' ' ' PRO . 99.1 t . . . . . 0 N--CA 1.489 1.5 0 C-N-CA 123.625 0.77 . . . . 62.22 110.145 175.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.4 tttm . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 109.61 -0.515 . . . . 73.22 109.61 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -58.82 104.83 0.26 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.805 0.842 . . . . 62.4 113.042 -167.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.9 mm -93.15 148.43 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.672 1.189 . . . . 74.31 109.693 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 23.1 t -73.65 109.22 6.99 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 107.854 -1.165 . . . . 73.23 107.854 169.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -54.26 -49.31 69.84 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 124.528 1.142 . . . . 63.42 111.369 -170.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 62.0 mt -58.27 -34.54 50.29 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.426 0 C-N-CA 124.479 1.112 . . . . 74.1 112.563 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 94.8 m -85.42 -33.21 21.98 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-O 119.115 -0.469 . . . . 65.12 111.783 -177.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.5 t30 65.32 14.51 9.47 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 124.784 1.302 . . . . 61.02 110.456 -166.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -130.11 146.64 51.78 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 125.272 1.429 . . . . 71.41 109.806 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -118.39 30.33 6.04 Favored Glycine 0 N--CA 1.467 0.75 0 CA-C-N 115.755 -0.657 . . . . 63.23 111.494 171.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.2 -55.14 20.24 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.069 0.948 . . . . 73.33 110.3 -174.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.6 t -97.34 65.55 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 CA-C-O 121.836 0.827 . . . . 71.13 108.896 176.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 53' ' ' MET . 8.8 pt-20 -71.07 -19.36 62.49 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 115.478 -0.783 . . . . 51.22 112.11 -177.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.88 -28.9 70.35 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 120.992 0.425 . . . . 74.32 111.09 175.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.3 t -105.02 17.24 24.47 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.524 -0.762 . . . . 71.33 111.837 -174.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.594 ' HA ' ' HA ' ' A' ' 64' ' ' HIS . 16.5 ptp -98.2 133.14 43.04 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 121.129 0.49 . . . . 61.41 109.714 170.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.5 mp -105.68 139.0 40.93 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 107.296 -1.372 . . . . 52.13 107.296 172.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 45.6 tp -101.18 121.15 41.33 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 108.345 -0.983 . . . . 71.41 108.345 -178.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.724 ' HG ' ' HG ' ' A' ' 59' ' ' CYS . 43.4 t -63.05 115.76 4.72 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 123.618 0.767 . . . . 63.31 111.083 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.94 -27.42 65.72 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.517 0.727 . . . . 64.2 110.374 175.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.11 2.0 77.72 Favored Glycine 0 CA--C 1.54 1.594 0 N-CA-C 114.962 0.745 . . . . 41.53 114.962 178.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.724 ' HG ' ' HG ' ' A' ' 56' ' ' CYS . 27.6 p -160.04 -155.31 0.43 Allowed 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.976 0.91 . . . . 63.45 109.732 176.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -108.04 -14.37 14.75 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.65 0.78 . . . . 71.45 111.516 -177.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -87.88 145.56 26.0 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 112.687 0.625 . . . . 71.14 112.687 -163.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.8 t -102.12 132.63 47.89 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.422 1.089 . . . . 72.41 109.963 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -132.42 132.44 42.79 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.803 0.841 . . . . 74.14 109.368 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.781 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 30.9 m170 -67.71 161.35 26.14 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 117.922 0.328 . . . . 73.24 110.597 170.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.6 p -52.5 -56.77 12.85 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 124.558 1.161 . . . . 64.54 110.799 169.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.539 ' HA ' ' HB3' ' A' ' 71' ' ' PRO . 32.0 p90 -77.2 -10.66 59.55 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 114.228 -1.351 . . . . 72.24 113.485 -172.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 92.4 m -78.67 -16.4 57.34 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.235 0.614 . . . . 72.43 112.514 178.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 70.3 mt -104.77 159.17 16.0 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.443 0.697 . . . . 71.3 111.103 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mp -113.75 114.82 46.76 Favored Pre-proline 0 CA--C 1.548 0.898 0 N-CA-C 107.915 -1.143 . . . . 73.52 107.915 172.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -80.0 147.94 77.83 Favored 'Cis proline' 0 C--N 1.378 2.103 0 CA-C-N 120.213 1.112 . . . . 64.11 112.845 0.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.539 ' HB3' ' HA ' ' A' ' 66' ' ' PHE . 54.2 Cg_exo -56.49 122.4 11.73 Favored 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 122.471 2.114 . . . . 63.23 111.446 174.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.1 mt -75.43 81.6 2.49 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.265 0.626 . . . . 54.02 109.934 -172.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.3 m -64.32 -28.84 69.99 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-O 121.704 0.764 . . . . 64.31 110.458 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.7 p -115.16 141.25 48.27 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 124.573 1.149 . . . . 73.1 108.727 169.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.2 mt -73.52 114.77 34.99 Favored Pre-proline 0 CA--C 1.55 0.95 0 N-CA-C 108.17 -1.048 . . . . 73.31 108.17 171.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.04 101.01 0.32 Allowed 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.424 2.083 . . . . 72.43 111.996 -177.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.4 tptt 69.48 -73.7 0.09 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.824 1.65 . . . . 74.32 110.625 177.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -170.37 -77.93 0.04 OUTLIER Glycine 0 C--O 1.242 0.644 0 N-CA-C 109.771 -1.332 . . . . 53.41 109.771 173.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -64.12 144.47 57.09 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.945 0.898 . . . . 72.11 109.506 170.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -138.74 143.75 39.17 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.591 0.71 . . . . 63.32 111.478 -171.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.4 mt -114.87 132.39 56.53 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 125.227 1.411 . . . . 75.12 108.09 173.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 31.6 p -68.35 139.76 92.32 Favored Pre-proline 0 N--CA 1.471 0.623 0 CA-C-O 118.628 -0.701 . . . . 62.14 109.819 176.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.411 ' O ' HG23 ' A' ' 87' ' ' VAL . 70.3 Cg_exo -45.06 -31.09 5.3 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 124.081 3.187 . . . . 70.2 114.075 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -62.99 -48.49 78.61 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.266 1.027 . . . . 74.34 111.194 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 62.1 m -71.77 -27.32 62.88 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.696 0.798 . . . . 52.21 111.473 -178.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.4 t -70.05 -22.96 24.82 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 C-N-CA 123.847 0.859 . . . . 34.22 111.073 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 83' ' ' PRO . 93.4 t . . . . . 0 N--CA 1.487 1.407 0 C-N-CA 122.956 0.502 . . . . 33.51 111.956 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.545 0.771 0 N-CA-C 108.96 -0.756 . . . . 72.42 108.96 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -84.72 93.61 8.48 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.102 -1.073 . . . . 64.51 108.102 170.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 62' ' ' SER . 50.2 mm -108.73 143.94 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 124.825 1.25 . . . . 65.43 109.102 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.704 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 41.0 t -67.19 97.42 0.53 Allowed 'General case' 0 C--N 1.351 0.666 0 N-CA-C 107.586 -1.264 . . . . 73.45 107.586 171.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -51.39 -39.51 57.35 Favored 'General case' 0 C--O 1.248 1.002 0 C-N-CA 125.751 1.62 . . . . 65.41 112.883 -171.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.3 mt -60.98 -47.24 94.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.233 0.613 . . . . 75.12 111.357 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.589 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 62.6 m -89.2 -23.9 22.28 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 112.277 0.473 . . . . 61.21 112.277 -168.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 64.4 t30 57.96 33.98 23.79 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.307 1.043 . . . . 75.32 110.014 -167.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -126.41 132.98 51.39 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.918 0.887 . . . . 64.42 109.489 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -111.41 19.16 24.64 Favored Glycine 0 CA--C 1.526 0.77 0 O-C-N 123.941 0.775 . . . . 61.02 111.837 170.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.2 -69.53 0.35 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.616 1.166 . . . . 52.51 110.232 -174.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.9 t -83.38 87.71 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 108.449 -0.945 . . . . 64.43 108.449 175.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -78.57 -25.43 45.36 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 114.893 -1.049 . . . . 74.02 111.635 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -59.44 -35.64 74.42 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.219 1.008 . . . . 70.52 112.807 -173.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.469 ' HA ' HD11 ' A' ' 75' ' ' ILE . 19.7 m -102.48 3.86 38.05 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.183 0.593 . . . . 45.54 111.214 -176.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 45.0 ttm -80.28 121.59 25.84 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 109.104 -0.702 . . . . 74.22 109.104 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.479 HD21 HG23 ' A' ' 75' ' ' ILE . 87.6 mt -112.77 143.15 44.49 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 124.368 1.067 . . . . 71.34 109.537 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -100.5 127.86 46.73 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 105.804 -1.925 . . . . 71.23 105.804 174.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.749 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 50.2 t -68.43 108.91 3.44 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.385 -0.598 . . . . 63.32 109.385 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -61.16 -26.68 67.86 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.263 1.025 . . . . 71.34 112.382 -171.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -89.58 -16.95 56.04 Favored Glycine 0 C--N 1.346 1.111 0 N-CA-C 114.402 0.521 . . . . 64.01 114.402 -176.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.714 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 19.8 p -146.22 -159.67 1.05 Allowed 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 117.862 0.831 . . . . 74.2 111.079 -172.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -116.14 97.69 6.21 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 124.343 1.057 . . . . 75.24 108.838 175.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -173.61 160.29 3.75 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.97 0.908 . . . . 73.33 108.881 174.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 40' ' ' ILE . 69.6 m -138.73 130.72 28.07 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.269 0.628 . . . . 74.24 109.945 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -130.24 140.43 50.7 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.043 1.337 . . . . 63.35 108.39 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.675 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 33.4 m170 -72.04 156.5 39.15 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 108.778 -0.823 . . . . 72.41 108.778 164.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.485 ' HA ' HD12 ' A' ' 72' ' ' LEU . 48.2 p -59.53 -39.92 85.48 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 123.903 0.752 . . . . 62.13 110.623 171.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -91.74 9.96 30.36 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.94 -1.027 . . . . 63.05 113.094 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.704 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 67.4 m -78.43 -43.67 26.72 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.272 0.558 . . . . 63.2 110.077 168.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.8 mt -82.54 138.36 34.3 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.777 -1.101 . . . . 72.33 109.135 -178.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.33 129.45 25.33 Favored Pre-proline 0 N--CA 1.479 0.999 0 CA-C-O 118.961 -0.542 . . . . 64.52 110.056 173.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 49.1 Cg_endo -66.84 140.98 53.12 Favored 'Cis proline' 0 C--N 1.385 2.494 0 CA-C-N 119.935 1.013 . . . . 72.02 113.231 -1.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 70' ' ' PRO . 32.6 Cg_exo -59.71 148.77 86.52 Favored 'Trans proline' 0 C--N 1.381 2.271 0 C-N-CA 123.323 2.682 . . . . 62.15 113.768 -174.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 65' ' ' THR . 61.8 mt -68.7 119.47 13.15 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.852 0.861 . . . . 44.32 109.396 -178.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.8 m -64.65 -38.69 91.87 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 123.961 0.788 . . . . 74.24 111.925 -170.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.1 m -145.17 148.71 33.86 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.394 0.677 . . . . 72.02 110.623 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.479 HG23 HD21 ' A' ' 54' ' ' LEU . 57.6 mt -77.98 119.89 79.12 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 115.013 -0.994 . . . . 63.34 109.203 174.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 75' ' ' ILE . 2.9 Cg_endo -84.19 44.0 1.46 Allowed 'Trans proline' 0 C--N 1.372 1.766 0 C-N-CA 123.417 2.745 . . . . 72.43 111.639 177.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt 63.2 -80.8 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.104 1.362 . . . . 65.24 111.03 -174.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -154.79 6.02 0.29 Allowed Glycine 0 N--CA 1.468 0.805 0 N-CA-C 110.232 -1.147 . . . . 72.42 110.232 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -86.74 42.53 1.02 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.137 1.375 . . . . 63.41 109.871 -178.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 82.3 t90 -118.52 130.57 56.0 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 108.661 -0.866 . . . . 75.31 108.661 -170.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.5 mt -107.08 138.72 42.73 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 124.434 1.093 . . . . 74.43 109.337 173.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.717 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 29.0 p -71.84 153.3 93.13 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 109.162 -0.681 . . . . 74.42 109.162 171.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.591 ' HG2' HH11 ' A' ' 84' ' ' ARG . 37.8 Cg_endo -61.74 -18.54 61.07 Favored 'Trans proline' 0 C--N 1.371 1.733 0 C-N-CA 122.47 2.113 . . . . 71.33 112.504 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.591 HH11 ' HG2' ' A' ' 83' ' ' PRO . 6.8 mpt_? -63.63 -53.9 44.2 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.26 1.024 . . . . 74.44 109.426 174.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.749 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 97.4 m -56.29 -39.4 72.64 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 123.868 0.867 . . . . 61.32 112.049 -177.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 49.1 t -63.12 -43.64 99.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 114.823 -1.08 . . . . 75.11 110.724 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.6 m . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 113.185 0.809 . . . . 54.44 113.185 -172.313 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 108.801 -0.815 . . . . 54.13 108.801 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.437 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 73.2 m-85 -64.89 -60.15 3.39 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.003 0.521 . . . . 74.12 110.546 175.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.4 mt 62.68 109.85 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 125.563 1.545 . . . . 73.03 113.268 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 22.1 t -75.13 88.14 2.44 Favored 'General case' 0 C--N 1.346 0.448 0 N-CA-C 106.748 -1.575 . . . . 75.01 106.748 168.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -39.95 -42.57 1.38 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 125.125 1.515 . . . . 55.22 112.628 -171.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.6 mt -56.4 -52.19 55.25 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 C-N-CA 124.185 0.994 . . . . 75.44 112.404 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 21.2 p -100.18 -1.03 37.59 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 122.001 -0.437 . . . . 72.55 111.419 -174.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 63.61 10.67 5.15 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.132 1.373 . . . . 71.5 113.14 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -83.21 112.68 20.08 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.493 0.717 . . . . 71.14 110.729 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.51 73.33 0.23 Allowed Glycine 0 C--O 1.241 0.547 0 N-CA-C 107.679 -2.168 . . . . 64.34 107.679 169.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -170.52 -44.46 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 109.002 -0.74 . . . . 71.2 109.002 -159.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.8 t -97.5 78.68 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.204 0.601 . . . . 74.13 109.713 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.553 ' HA ' ' HB3' ' A' ' 53' ' ' MET . 2.8 mp0 -81.52 -18.94 43.31 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.136 0.574 . . . . 74.23 110.627 173.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -55.36 -36.81 66.73 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.652 1.181 . . . . 73.4 112.914 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.0 t -103.38 0.65 31.59 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.319 0.648 . . . . 52.5 111.48 177.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.553 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 40.9 ttm -100.25 131.65 46.07 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.985 0.514 . . . . 74.52 110.46 -171.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.508 HD11 HG23 ' A' ' 65' ' ' THR . 6.0 mp -103.71 152.82 21.37 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.057 1.343 . . . . 74.11 109.401 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -102.01 137.36 40.39 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.887 -0.597 . . . . 71.22 109.707 174.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.848 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 49.5 t -82.23 133.3 35.25 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.308 -0.86 . . . . 73.25 109.822 176.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -78.46 -50.94 10.76 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.627 0.371 . . . . 71.52 111.017 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.22 -17.24 69.95 Favored Glycine 0 C--N 1.349 1.258 0 CA-C-N 115.714 -0.676 . . . . 71.44 114.434 -170.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.644 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 6.3 p -165.59 177.84 7.09 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.314 1.046 . . . . 63.3 109.753 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -92.86 91.42 7.43 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.41 0.684 . . . . 43.1 109.253 -172.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -135.53 148.77 49.27 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 108.661 -0.866 . . . . 52.4 108.661 177.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.533 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 30.1 m -138.19 121.1 16.56 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 108.144 -1.058 . . . . 72.23 108.144 174.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -149.34 145.59 27.09 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.668 0.787 . . . . 70.24 110.575 -173.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.485 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 31.2 m170 -76.08 155.68 34.57 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.246 0.618 . . . . 61.42 110.384 174.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.672 HG21 HG12 ' A' ' 75' ' ' ILE . 7.9 p -59.06 -51.73 68.8 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.605 0.762 . . . . 51.43 111.219 172.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -74.48 -11.92 60.35 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 114.856 -1.065 . . . . 74.21 112.334 -173.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.485 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 84.0 m -90.77 -21.86 21.33 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-N 118.202 0.455 . . . . 70.13 112.089 -177.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.7 mt -83.28 42.78 0.84 Allowed 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 113.668 0.988 . . . . 73.42 113.668 -172.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mp -55.45 120.18 29.51 Favored Pre-proline 0 N--CA 1.5 2.072 0 C-N-CA 123.55 0.74 . . . . 73.43 112.157 -174.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -67.11 117.44 2.31 Favored 'Cis proline' 0 C--N 1.389 2.666 0 CA-C-N 120.392 1.176 . . . . 72.52 112.727 5.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -74.65 160.88 40.56 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.889 2.393 . . . . 74.23 114.112 -160.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.6 mt -77.42 82.74 3.86 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 108.436 -0.95 . . . . 73.13 108.436 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 t -61.86 -22.83 65.86 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.818 0.847 . . . . 73.31 112.001 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.5 t -125.75 136.55 53.29 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 107.24 -1.393 . . . . 64.23 107.24 165.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.672 HG12 HG21 ' A' ' 65' ' ' THR . 26.3 mt -73.21 123.36 89.44 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 123.682 0.793 . . . . 73.44 110.301 -178.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -48.42 127.86 16.6 Favored 'Trans proline' 0 C--N 1.384 2.428 0 C-N-CA 123.458 2.772 . . . . 74.22 111.766 169.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -47.59 81.4 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 125.681 1.593 . . . . 44.53 113.335 -177.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.03 -86.34 1.5 Allowed Glycine 0 C--N 1.348 1.207 0 CA-C-N 114.645 -1.161 . . . . 65.03 112.299 175.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -95.34 123.93 39.11 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.477 0.711 . . . . 73.2 110.468 -173.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 31.5 t90 -101.28 150.07 23.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.862 1.265 . . . . 71.32 111.022 -172.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.5 mt -115.56 127.93 55.6 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.55 -0.907 . . . . 71.22 108.55 172.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.716 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 26.4 p -77.4 161.5 72.28 Favored Pre-proline 0 CA--C 1.552 1.019 0 C-N-CA 123.084 0.554 . . . . 73.32 110.345 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -48.13 -33.89 22.38 Favored 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 123.042 2.495 . . . . 55.43 113.31 168.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.64 ' HB2' ' SG ' ' A' ' 82' ' ' CYS . 92.2 mtt180 -61.82 -40.73 96.29 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.879 0.872 . . . . 72.51 111.249 175.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.848 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 83.2 m -73.52 -28.38 61.87 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.446 0.698 . . . . 63.41 111.751 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.1 t -66.33 -41.54 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.229 0.611 . . . . 73.32 109.545 173.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 N--CA 1.487 1.377 0 C-N-CA 123.558 0.743 . . . . 73.12 110.652 173.586 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 108.98 -0.748 . . . . 70.53 108.98 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -70.41 -72.58 0.2 Allowed 'General case' 0 C--O 1.243 0.719 0 O-C-N 123.591 0.557 . . . . 74.02 109.547 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.0 mt 63.64 127.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 125.494 1.517 . . . . 74.24 112.021 175.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 53.0 t -61.49 105.91 0.58 Allowed 'General case' 0 C--N 1.35 0.608 0 N-CA-C 109.158 -0.682 . . . . 63.53 109.158 176.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -62.47 -14.68 43.91 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 125.465 1.506 . . . . 72.25 112.301 -173.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.3 mt -94.38 -34.59 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 C-N-CA 123.297 0.639 . . . . 73.12 110.211 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.75 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 84.0 m -80.74 -24.92 38.36 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 122.826 0.45 . . . . 70.04 111.698 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.8 t30 74.86 -24.7 0.21 Allowed 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 125.421 1.488 . . . . 72.12 111.877 -172.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -109.84 167.55 10.07 Favored 'General case' 0 C--O 1.244 0.801 0 C-N-CA 124.265 1.026 . . . . 73.14 110.83 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -99.7 39.96 2.59 Favored Glycine 0 C--N 1.345 1.064 0 CA-C-N 115.293 -0.867 . . . . 34.41 113.314 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -72.1 156.84 38.75 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.358 -0.608 . . . . 73.23 109.358 174.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.0 t 43.09 55.07 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 125.11 1.364 . . . . 75.22 111.167 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -65.44 -21.53 66.66 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 114.564 -1.198 . . . . 52.41 112.441 -172.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -64.47 -37.11 86.41 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.715 0.806 . . . . 73.11 110.692 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.3 m -97.02 13.28 29.56 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.282 0.633 . . . . 51.21 111.55 -175.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 46.1 ttm -84.32 102.51 12.76 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 108.656 -0.868 . . . . 70.03 108.656 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.2 mt -74.32 145.93 43.52 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.148 -0.933 . . . . 74.34 108.961 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.67 116.51 25.44 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.972 -1.121 . . . . 74.34 107.972 175.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.786 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 43.6 t -57.7 110.4 0.89 Allowed 'General case' 0 C--N 1.354 0.789 0 O-C-N 123.714 0.634 . . . . 62.13 109.741 173.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -58.38 -30.08 66.51 Favored 'General case' 0 CA--C 1.562 1.415 0 O-C-N 124.066 0.854 . . . . 60.45 111.764 -177.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.537 ' O ' ' SG ' ' A' ' 59' ' ' CYS . . . -118.22 59.26 0.5 Allowed Glycine 0 CA--C 1.544 1.872 0 CA-C-N 115.477 -0.783 . . . . 52.1 113.398 177.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.781 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 64.8 m -173.72 -34.86 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 126.274 1.83 . . . . 72.1 110.272 168.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.6 t70 61.14 56.57 2.71 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 122.944 1.354 . . . . 72.22 109.284 -168.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -125.7 134.37 51.83 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 107.356 -1.35 . . . . 70.04 107.356 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.5 m -102.16 122.2 43.7 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.729 0.812 . . . . 42.32 110.568 -169.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -136.0 138.24 42.05 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.296 1.038 . . . . 73.21 108.252 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.67 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 26.6 m170 -74.49 156.29 37.07 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 118.34 0.518 . . . . 73.4 109.969 170.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 36.8 p -53.59 -45.93 70.17 Favored 'General case' 0 CA--C 1.553 1.06 0 O-C-N 124.652 1.22 . . . . 75.02 111.357 170.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -85.74 -23.74 27.2 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 115.239 -0.891 . . . . 75.44 113.187 -175.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.75 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 86.9 m -69.06 -25.61 64.54 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 118.252 0.478 . . . . 72.13 112.041 -179.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.5 mt -80.63 155.44 26.85 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.557 -0.534 . . . . 73.34 109.557 172.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 pp -124.97 136.45 28.11 Favored Pre-proline 0 CA--C 1.549 0.917 0 N-CA-C 108.857 -0.794 . . . . 64.25 108.857 169.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -64.09 137.55 28.28 Favored 'Cis proline' 0 C--N 1.378 2.095 0 CA-C-N 120.018 1.042 . . . . 71.45 112.393 -7.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -68.42 124.85 12.1 Favored 'Trans proline' 0 C--N 1.371 1.733 0 C-N-CA 122.637 2.225 . . . . 43.12 112.803 -173.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.415 ' O ' ' HB ' ' A' ' 65' ' ' THR . 48.5 mt -65.87 113.54 4.44 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.548 -0.751 . . . . 74.24 109.322 172.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.1 p -80.42 -1.29 40.83 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.528 0.731 . . . . 63.3 111.901 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.3 t -155.34 176.83 12.06 Favored 'General case' 0 C--O 1.248 1.021 0 C-N-CA 124.335 1.054 . . . . 53.23 109.269 -177.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.0 mt -64.6 128.28 93.3 Favored Pre-proline 0 CA--C 1.559 1.3 0 N-CA-C 109.288 -0.634 . . . . 74.42 109.288 172.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -64.24 177.52 2.0 Allowed 'Trans proline' 0 C--N 1.375 1.947 0 C-N-CA 123.284 2.656 . . . . 74.34 113.881 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -64.55 97.42 0.21 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.165 0.986 . . . . 74.43 111.254 -176.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 63.46 -136.06 42.14 Favored Glycine 0 C--N 1.35 1.329 0 O-C-N 123.658 0.599 . . . . 44.44 111.782 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -69.78 150.52 46.8 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.346 -0.613 . . . . 61.34 109.346 173.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -111.76 131.84 55.05 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 121.194 0.521 . . . . 75.02 110.121 -173.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.439 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 82.0 mt -104.94 132.35 51.3 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.271 1.028 . . . . 62.22 109.162 173.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.786 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 19.2 p -66.58 159.69 72.2 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 123.339 0.656 . . . . 73.5 111.153 175.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.423 ' HB2' ' NH2' ' A' ' 84' ' ' ARG . 51.7 Cg_exo -56.84 -20.5 36.07 Favored 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 122.582 2.188 . . . . 53.31 112.88 171.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.703 ' HB2' ' SG ' ' A' ' 82' ' ' CYS . 0.0 OUTLIER -62.41 -47.03 85.91 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.796 0.839 . . . . 72.3 110.287 171.121 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.701 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 59.0 m -66.79 -39.48 87.79 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.62 0.768 . . . . 75.11 111.066 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.7 t -66.68 -43.14 90.37 Favored 'Isoleucine or valine' 0 C--O 1.247 0.947 0 CA-C-N 114.761 -1.108 . . . . 74.51 109.774 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.0 t . . . . . 0 N--CA 1.493 1.7 0 C-N-CA 126.088 1.755 . . . . 75.1 111.045 -176.946 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 109.718 -0.475 . . . . 65.02 109.718 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -112.54 73.58 0.82 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 108.737 -0.838 . . . . 72.33 108.737 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.73 27.79 8.54 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 115.322 -0.854 . . . . 71.04 110.652 -178.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 p -88.54 75.93 8.26 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 123.621 0.768 . . . . 70.53 109.977 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.25 -39.9 92.19 Favored Glycine 0 C--N 1.346 1.124 0 CA-C-N 115.747 -0.66 . . . . 74.1 112.336 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.34 81.81 0.6 Allowed Glycine 0 C--N 1.349 1.293 0 C-N-CA 122.931 0.301 . . . . 70.11 112.699 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.7 m -134.79 87.29 31.02 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 123.62 0.768 . . . . 73.23 109.701 177.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.38 145.99 49.4 Favored 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.183 1.922 . . . . 72.54 110.664 172.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.6 mt -100.7 54.49 0.87 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.531 0.732 . . . . 73.25 109.177 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.82 86.62 0.69 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.389 -0.823 . . . . 61.2 110.131 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.4 m -131.52 103.08 6.21 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 124.566 1.147 . . . . 63.3 109.077 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.7 171.43 31.77 Favored Glycine 0 C--N 1.342 0.863 0 O-C-N 123.488 0.492 . . . . 72.24 112.113 177.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.3 t -160.49 140.05 10.93 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.927 0.891 . . . . 75.23 109.063 174.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.0 m -79.65 88.77 5.14 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 121.27 0.557 . . . . 64.41 110.165 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.42 96.09 10.04 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.269 -0.878 . . . . 44.5 108.769 177.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -133.47 124.98 27.99 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.374 0.669 . . . . 63.25 109.229 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.4 p -133.02 106.96 7.96 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.302 1.041 . . . . 61.3 108.732 176.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -78.49 94.71 4.99 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.371 0.669 . . . . 65.01 109.667 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.29 88.83 1.1 Allowed Glycine 0 C--N 1.343 0.967 0 CA-C-N 115.546 -0.752 . . . . 74.43 111.52 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.0 112.79 1.8 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.005 0.922 . . . . 64.51 110.115 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.2 t -116.36 74.89 0.92 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.509 0.724 . . . . 64.34 110.571 -168.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -105.47 98.46 8.15 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 108.122 -1.066 . . . . 75.12 108.122 172.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -61.4 -36.74 81.12 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.11 0.964 . . . . 71.34 112.28 -174.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -127.21 39.73 3.85 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.292 1.037 . . . . 61.42 110.06 -178.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.05 -20.57 64.91 Favored Glycine 0 CA--C 1.538 1.498 0 CA-C-N 116.043 -0.526 . . . . 61.33 112.681 173.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.46 53.01 0.33 Allowed Glycine 0 C--N 1.346 1.1 0 N-CA-C 110.697 -0.961 . . . . 74.33 110.697 173.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -149.03 90.41 4.74 Favored Pre-proline 0 N--CA 1.481 1.101 0 C-N-CA 123.703 0.801 . . . . 75.1 109.537 -177.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 73.0 Cg_endo -83.68 141.31 9.72 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.671 2.247 . . . . 74.01 112.683 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 28' ' ' PRO . 22.7 Cg_exo -65.9 102.38 0.53 Allowed 'Trans proline' 0 C--N 1.382 2.297 0 C-N-CA 123.05 2.5 . . . . 51.22 111.722 176.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.58 131.15 40.71 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.622 0.769 . . . . 72.41 111.649 -175.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.0 mt -87.26 158.23 19.14 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.893 0.877 . . . . 73.23 110.45 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.7 pt -70.18 100.07 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 C-N-CA 123.483 0.713 . . . . 60.0 111.686 -176.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.5 m -70.07 -16.88 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 CA-C-N 115.665 -0.698 . . . . 73.32 111.8 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -127.0 65.46 63.99 Favored Pre-proline 0 CA--C 1.556 1.206 0 C-N-CA 124.625 1.17 . . . . 65.42 109.921 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.46 -30.9 35.35 Favored 'Trans proline' 0 C--N 1.38 2.21 0 C-N-CA 123.348 2.699 . . . . 70.5 113.928 -166.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.4 mt -99.71 -78.39 0.51 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.406 0.682 . . . . 72.21 109.19 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 52.0 ttm -162.97 134.68 5.1 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 108.508 -0.923 . . . . 72.31 108.508 -175.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -163.39 122.49 2.07 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 107.463 -1.31 . . . . 63.23 107.463 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -69.74 95.4 0.88 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.511 0.724 . . . . 74.11 110.002 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.4 mt -107.85 139.43 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.704 0.802 . . . . 70.43 109.637 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.577 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 14.5 t -77.08 97.83 4.83 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 108.155 -1.054 . . . . 62.25 108.155 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -65.17 -24.68 67.45 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 114.631 -1.168 . . . . 65.44 112.876 -169.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.8 mt -59.72 -43.16 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 122.986 0.514 . . . . 72.33 111.243 169.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.883 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 25.4 p -106.58 3.99 27.57 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 122.302 -0.248 . . . . 74.41 111.416 -176.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.3 p30 55.49 9.51 0.39 Allowed 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 126.166 1.787 . . . . 74.24 113.873 -178.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -135.72 146.19 47.45 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.158 0.983 . . . . 74.31 108.964 -172.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.53 50.93 1.24 Allowed Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.678 -0.569 . . . . 51.45 111.678 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -42.83 -76.28 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 125.516 1.526 . . . . 61.12 112.928 -175.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.4 t -113.18 103.77 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 109.568 -0.53 . . . . 70.45 109.568 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.39 -24.89 64.83 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.75 0.82 . . . . 72.11 111.593 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -72.76 -20.77 61.12 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.973 0.909 . . . . 61.02 111.125 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.1 m -110.1 9.08 24.12 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.938 0.895 . . . . 65.02 111.037 177.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 48.9 ttm -91.91 115.72 28.3 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 123.113 0.565 . . . . 75.24 109.637 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 59.1 mt -102.71 153.01 20.55 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 124.453 1.101 . . . . 72.01 110.213 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.27 116.26 22.36 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 105.99 -1.855 . . . . 63.31 105.99 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.555 ' SG ' ' HB2' ' A' ' 59' ' ' CYS . 44.4 t -58.0 113.64 1.98 Allowed 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.634 0.584 . . . . 72.14 111.575 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.676 ' HB2' ' HB3' ' A' ' 79' ' ' GLU . 29.5 t70 -51.35 -48.79 62.34 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.84 1.256 . . . . 72.31 110.962 173.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.456 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -96.95 55.06 1.34 Allowed Glycine 0 C--N 1.347 1.142 0 O-C-N 123.948 0.78 . . . . 71.12 112.016 175.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.555 ' HB2' ' SG ' ' A' ' 56' ' ' CYS . 33.3 m 177.09 -155.88 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 127.708 2.403 . . . . 65.15 105.952 170.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -161.28 104.96 1.29 Allowed 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.098 -1.075 . . . . 71.04 108.098 167.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.41 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 10.4 t70 -175.68 146.25 0.74 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.475 1.11 . . . . 74.33 108.542 177.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 54.7 m -92.88 123.91 36.48 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.967 0.507 . . . . 74.21 110.656 -177.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 61' ' ' ASP . 69.9 m-85 -122.88 147.97 45.97 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.461 1.105 . . . . 70.33 108.551 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.78 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 24.5 m80 -93.05 153.05 18.93 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 108.632 -0.877 . . . . 62.35 108.632 165.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.435 HG22 HD12 ' A' ' 72' ' ' LEU . 32.6 p -60.65 -39.64 89.06 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.626 1.203 . . . . 72.05 109.964 169.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -65.06 -38.03 89.5 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.834 1.254 . . . . 73.41 111.552 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.78 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 79.7 m -70.71 -18.99 62.8 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.658 0.783 . . . . 65.21 112.99 -174.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 85.3 mt -90.6 143.24 26.93 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.508 0.723 . . . . 75.13 109.565 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 mp -107.08 118.56 53.64 Favored Pre-proline 0 N--CA 1.49 1.561 0 C-N-CA 123.642 0.777 . . . . 71.52 109.741 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -80.24 160.41 85.71 Favored 'Cis proline' 0 C--N 1.385 2.467 0 CA-C-N 119.943 1.015 . . . . 70.21 111.221 -4.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.432 ' HA ' ' O ' ' A' ' 65' ' ' THR . 76.0 Cg_exo -53.26 137.33 63.84 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 122.383 2.055 . . . . 64.51 112.055 174.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.435 HD12 HG22 ' A' ' 65' ' ' THR . 69.5 mt -68.82 101.3 1.31 Allowed 'General case' 0 CA--C 1.542 0.67 0 O-C-N 123.53 0.518 . . . . 72.32 110.11 -173.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.8 m -55.41 -35.73 65.69 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 125.082 1.353 . . . . 74.34 111.966 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.4 m -109.85 136.38 49.25 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 123.806 0.842 . . . . 71.13 108.798 173.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.6 mm -78.38 122.55 85.23 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 107.696 -1.224 . . . . 75.54 107.696 167.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -48.25 110.86 0.37 Allowed 'Trans proline' 0 C--N 1.377 2.033 0 C-N-CA 123.465 2.776 . . . . 63.31 113.453 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -61.29 -40.2 93.26 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.582 1.153 . . . . 75.42 110.849 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -96.59 175.99 32.04 Favored Glycine 0 C--N 1.341 0.84 0 N-CA-C 110.658 -0.977 . . . . 34.34 110.658 170.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.676 ' HB3' ' HB2' ' A' ' 57' ' ' ASP . 22.8 mm-40 -56.13 134.58 52.92 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.605 0.762 . . . . 74.31 110.868 177.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -89.51 135.7 33.45 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.714 0.806 . . . . 74.55 109.327 -172.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.0 mt -101.26 132.77 46.62 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 108.432 -0.951 . . . . 72.13 108.432 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.779 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 17.2 p -62.45 141.09 96.63 Favored Pre-proline 0 CA--C 1.553 1.069 0 CA-C-O 118.751 -0.642 . . . . 64.03 109.637 172.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.23 -27.87 31.86 Favored 'Trans proline' 0 C--N 1.39 2.711 0 C-N-CA 123.913 3.075 . . . . 70.34 113.772 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -57.53 -46.91 83.29 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.427 1.091 . . . . 73.31 110.331 174.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.779 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 63.2 m -81.82 -31.76 31.55 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.918 -1.037 . . . . 71.34 111.869 -176.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.6 t -53.2 -37.68 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 123.519 0.728 . . . . 70.33 111.518 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.9 t -84.46 75.8 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 CA-C-O 121.94 0.876 . . . . 73.42 109.231 174.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -118.02 168.95 10.07 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 114.786 -1.097 . . . . 74.2 110.764 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -147.88 168.16 22.93 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 107.554 -1.276 . . . . 71.35 107.554 171.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 52.0 t -47.03 -46.79 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 C-N-CA 123.787 0.835 . . . . 42.04 111.471 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.2 m -78.73 95.49 5.33 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.475 -0.784 . . . . 72.02 110.713 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -79.69 160.35 69.67 Favored Pre-proline 0 N--CA 1.484 1.237 0 N-CA-C 108.86 -0.792 . . . . 72.35 108.86 166.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.56 45.48 1.26 Allowed 'Trans proline' 0 CA--C 1.569 2.231 0 C-N-CA 122.672 2.248 . . . . 61.21 113.268 172.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 . . . . . 0 C--O 1.246 0.909 0 N-CA-C 107.123 -1.436 . . . . 73.21 107.123 175.532 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.883 'ZN ' ' HG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . 0.624 'ZN ' ' SG ' ' A' ' 85' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.472 0.669 0 N-CA-C 109.214 -0.662 . . . . 75.4 109.214 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 68.4 m80 56.61 33.18 22.31 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.299 1.04 . . . . 54.13 112.653 167.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.5 ttt -103.82 34.62 2.93 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 108.86 -0.793 . . . . 71.34 108.86 176.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.4 p -68.25 -54.06 20.26 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 108.489 -0.93 . . . . 63.04 108.489 171.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.57 -58.14 5.03 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-N 115.38 -0.827 . . . . 60.05 112.73 173.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.8 -70.79 2.66 Favored Glycine 0 C--N 1.344 1.016 0 N-CA-C 109.939 -1.264 . . . . 74.41 109.939 -170.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.2 t -87.14 138.07 32.68 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 124.392 1.077 . . . . 60.24 108.432 168.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -65.35 84.63 0.2 Allowed 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 121.988 1.792 . . . . 35.23 111.27 172.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.8 mt -82.4 88.4 6.58 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 115.411 -0.813 . . . . 64.14 110.279 -176.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.58 26.22 2.39 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.962 0.905 . . . . 50.42 110.508 175.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.8 p -69.64 91.84 0.62 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.867 0.867 . . . . 51.53 110.625 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.65 107.44 0.2 Allowed Glycine 0 C--N 1.339 0.732 0 N-CA-C 111.579 -0.609 . . . . 51.54 111.579 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 t -145.47 89.04 1.89 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.143 0.973 . . . . 65.04 109.604 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.6 p -82.25 75.45 9.17 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.324 -0.853 . . . . 73.0 109.247 172.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.7 97.09 0.6 Allowed 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.691 -0.686 . . . . 50.33 109.591 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -76.22 176.89 7.66 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 115.582 -0.735 . . . . 72.12 110.706 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.6 p -67.93 93.17 0.4 Allowed 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.827 -0.624 . . . . 72.42 110.63 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.67 164.57 11.78 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.412 -0.813 . . . . 74.32 111.205 178.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.81 22.85 71.0 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.654 -0.578 . . . . 74.24 111.654 -169.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.19 137.24 41.16 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 123.684 0.794 . . . . 44.52 109.137 173.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.8 m -54.04 111.73 0.82 Allowed 'General case' 0 CA--C 1.547 0.836 0 O-C-N 124.146 0.904 . . . . 74.45 112.887 -170.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -102.32 29.02 5.43 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.948 1.299 . . . . 64.31 109.852 173.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -71.95 87.64 1.03 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.872 0.869 . . . . 64.32 109.983 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.449 ' HE3' HG22 ' A' ' 90' ' ' VAL . 53.3 pttt -146.97 39.28 1.02 Allowed 'General case' 0 C--O 1.243 0.761 0 CA-C-N 114.588 -1.187 . . . . 72.33 109.29 176.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.11 68.44 1.69 Allowed Glycine 0 C--N 1.353 1.524 0 N-CA-C 109.761 -1.336 . . . . 54.3 109.761 167.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.4 149.24 5.36 Favored Glycine 0 C--N 1.341 0.833 0 N-CA-C 110.329 -1.108 . . . . 51.22 110.329 -168.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 55.01 68.48 2.54 Favored Pre-proline 0 CA--C 1.557 1.234 0 C-N-CA 124.219 1.008 . . . . 73.25 110.893 -173.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.22 129.45 34.3 Favored 'Trans proline' 0 C--N 1.377 2.072 0 C-N-CA 122.806 2.337 . . . . 65.31 111.421 175.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -41.1 -74.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.391 2.773 0 C-N-CA 124.346 3.364 . . . . 73.02 114.263 -173.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -176.59 124.67 0.17 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.875 0.87 . . . . 62.12 110.82 172.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -78.18 144.99 35.87 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 108.337 -0.986 . . . . 74.01 108.337 168.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.8 mt 61.6 76.45 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 C-N-CA 124.517 1.127 . . . . 54.13 109.229 -175.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.4 p -69.59 171.61 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 CA-C-N 114.729 -1.123 . . . . 75.35 108.992 172.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.39 112.62 6.24 Favored Pre-proline 0 CA--C 1.561 1.383 0 CA-C-N 118.214 0.461 . . . . 74.03 110.107 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -84.59 -9.23 9.19 Favored 'Trans proline' 0 C--N 1.382 2.309 0 C-N-CA 122.783 2.322 . . . . 70.21 112.77 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 77.7 mt -88.47 -11.45 45.86 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.591 0.756 . . . . 55.4 110.524 -176.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 45.3 ttp 63.31 41.95 7.33 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 124.664 1.186 . . . . 70.05 109.453 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 121.11 18.01 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 107.926 -1.139 . . . . 73.43 107.926 173.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.562 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 31.5 m-85 -71.55 85.95 0.87 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.867 0.841 . . . . 71.01 110.274 -173.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.8 mt -111.68 122.79 66.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 C-N-CA 125.675 1.59 . . . . 64.42 108.592 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.526 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 52.9 t -65.55 110.91 2.89 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.463 -0.939 . . . . 45.42 108.463 174.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -65.27 -9.97 28.46 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.492 1.517 . . . . 73.21 112.75 -170.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.4 mt -102.36 -27.88 3.22 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 124.044 0.938 . . . . 74.12 110.108 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.729 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 68.5 m -89.24 -20.33 24.28 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.266 0.626 . . . . 75.33 111.848 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.1 t30 74.55 -8.68 1.45 Allowed 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 125.397 1.479 . . . . 74.32 111.934 -174.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.18 159.13 42.82 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.002 0.921 . . . . 74.52 110.201 172.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.78 50.45 0.77 Allowed Glycine 0 C--N 1.338 0.694 0 CA-C-N 115.976 -0.556 . . . . 74.51 111.968 176.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -59.04 -34.97 72.53 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.388 1.075 . . . . 43.41 112.131 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.561 HG12 ' H ' ' A' ' 52' ' ' SER . 54.7 t -116.48 94.51 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.115 0.566 . . . . 71.2 109.748 172.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.08 -24.41 62.31 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.639 0.376 . . . . 74.42 110.867 173.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.74 -37.63 88.09 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.387 1.075 . . . . 74.04 113.024 -174.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.561 ' H ' HG12 ' A' ' 49' ' ' VAL . 17.7 m -100.58 14.79 30.22 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.179 0.592 . . . . 73.55 110.76 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.574 ' SD ' ' HB3' ' A' ' 62' ' ' SER . 44.8 ttm -95.71 122.25 38.28 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 123.295 0.638 . . . . 73.12 110.777 -175.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.8 mt -89.61 148.22 23.47 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 125.282 1.433 . . . . 74.43 109.273 174.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -115.86 129.41 56.41 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.202 0.601 . . . . 71.24 109.526 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.447 ' HB3' ' H ' ' A' ' 61' ' ' ASP . 42.3 t -72.38 86.84 1.14 Allowed 'General case' 0 C--N 1.351 0.659 0 N-CA-C 108.903 -0.777 . . . . 73.53 108.903 173.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.9 85.17 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 125.3 1.44 . . . . 70.4 111.52 -175.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 153.75 -29.25 0.75 Allowed Glycine 0 C--N 1.346 1.116 0 CA-C-N 115.867 -0.606 . . . . 72.53 112.89 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.2 p -128.24 -8.47 5.31 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.679 0.792 . . . . 74.33 111.454 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 61.15 76.4 0.37 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.437 1.495 . . . . 72.24 112.003 175.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.447 ' H ' ' HB3' ' A' ' 56' ' ' CYS . 19.3 m-20 -121.54 119.99 33.55 Favored 'General case' 0 C--O 1.245 0.851 0 N-CA-C 108.102 -1.073 . . . . 73.1 108.102 174.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.574 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 30.5 m -93.91 123.49 37.3 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.188 0.595 . . . . 73.52 110.058 -177.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -140.01 161.68 37.03 Favored 'General case' 0 C--O 1.208 -1.088 0 C-N-CA 124.689 1.196 . . . . 72.15 109.795 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.657 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 38.0 m80 -97.55 156.05 16.68 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 109.315 -0.624 . . . . 71.23 109.315 169.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.6 p -54.18 -48.27 71.12 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.946 0.898 . . . . 61.21 111.153 173.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -78.22 -17.91 56.11 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 115.174 -0.921 . . . . 74.31 112.682 -176.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 88.0 m -75.91 -32.6 59.7 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.045 0.538 . . . . 74.32 111.908 178.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.1 mt -71.26 150.98 44.7 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.937 0.895 . . . . 74.35 112.661 -174.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.7 mp -118.0 112.65 38.09 Favored Pre-proline 0 CA--C 1.555 1.16 0 N-CA-C 107.768 -1.197 . . . . 75.14 107.768 167.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 91.3 Cg_endo -75.98 144.28 79.28 Favored 'Cis proline' 0 C--N 1.383 2.392 0 CA-C-N 120.395 1.177 . . . . 42.21 112.773 -0.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 70' ' ' PRO . 17.4 Cg_exo -66.54 138.81 51.3 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.374 2.05 . . . . 73.23 111.462 177.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.0 mt -91.5 131.1 37.17 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.974 -0.557 . . . . 74.4 109.613 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.9 t -74.97 -14.75 60.66 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.51 0.724 . . . . 73.32 111.223 -177.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.7 p -150.78 160.67 43.71 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.332 1.053 . . . . 74.02 110.381 -174.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 76.0 mt -81.75 117.28 67.67 Favored Pre-proline 0 CA--C 1.552 1.053 0 C-N-CA 123.979 0.912 . . . . 73.12 109.077 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -81.04 58.86 7.21 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 123.065 2.51 . . . . 52.14 111.814 177.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.4 tttp 73.03 -28.77 0.19 Allowed 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 125.89 1.676 . . . . 74.25 113.793 178.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.51 -30.42 9.54 Favored Glycine 0 C--N 1.343 0.936 0 N-CA-C 111.301 -0.719 . . . . 73.24 111.301 -169.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -74.83 89.05 2.31 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 107.532 -1.284 . . . . 61.01 107.532 170.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -145.85 154.96 42.56 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 114.832 -1.076 . . . . 73.33 109.755 -168.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 98.3 mt -119.96 130.16 54.65 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.532 0.733 . . . . 74.03 109.414 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 14.4 p -67.47 143.1 96.89 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 123.804 0.842 . . . . 43.24 111.018 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.52 -30.33 53.79 Favored 'Trans proline' 0 C--N 1.385 2.486 0 C-N-CA 123.327 2.684 . . . . 64.13 113.151 -178.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -68.4 -34.08 75.39 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 115.841 -0.618 . . . . 73.3 111.436 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.3 m -85.76 -23.87 27.1 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 122.568 0.347 . . . . 73.12 111.846 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.0 t -69.55 -44.55 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 122.567 0.347 . . . . 74.02 110.234 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.3 t -76.91 -21.41 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 116.108 -0.496 . . . . 60.04 109.848 171.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 71.66 124.17 0.03 OUTLIER 'General case' 0 C--N 1.352 0.71 0 C-N-CA 126.828 2.051 . . . . 73.34 111.097 -175.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -60.78 126.69 28.32 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 123.536 0.734 . . . . 71.45 109.617 173.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.449 HG22 ' HE3' ' A' ' 24' ' ' LYS . 35.5 m -55.82 121.1 3.36 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 O-C-N 124.168 0.917 . . . . 74.43 110.052 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 67.8 p -83.78 46.43 1.17 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.965 0.906 . . . . 74.2 111.744 -168.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.8 tptt 59.84 95.85 0.05 OUTLIER Pre-proline 0 CA--C 1.556 1.2 0 C-N-CA 124.797 1.239 . . . . 41.34 110.667 -172.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.36 150.25 70.43 Favored 'Trans proline' 0 C--N 1.378 2.1 0 C-N-CA 122.364 2.042 . . . . 64.2 111.67 174.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.118 0 N-CA-C 108.405 -0.961 . . . . 73.52 108.405 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.729 'ZN ' ' HG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.6 m . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 110.387 -0.227 . . . . 75.03 110.387 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -68.84 110.15 4.23 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 109.343 -0.614 . . . . 75.24 109.343 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.0 tpt -109.14 116.62 32.27 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 108.777 -0.824 . . . . 72.45 108.777 176.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.6 m -78.18 79.1 4.65 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.287 -0.635 . . . . 72.5 109.287 173.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -112.74 132.96 11.04 Favored Glycine 0 C--N 1.338 0.683 0 N-CA-C 111.098 -0.801 . . . . 74.43 111.098 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.37 151.89 23.83 Favored Glycine 0 C--N 1.344 0.973 0 O-C-N 123.694 0.291 . . . . 23.24 112.943 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.2 m -123.84 85.99 53.55 Favored Pre-proline 0 CA--C 1.546 0.804 0 N-CA-C 107.825 -1.176 . . . . 74.45 107.825 172.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -62.88 124.94 14.92 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 123.118 2.545 . . . . 73.31 112.042 -176.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 mp -79.2 70.31 5.56 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 123.835 0.854 . . . . 64.23 108.953 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.7 94.95 0.47 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.334 0.653 . . . . 61.12 109.753 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 t -114.11 151.06 33.16 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 123.507 0.723 . . . . 71.33 111.766 -169.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.54 54.16 0.38 Allowed Glycine 0 C--N 1.336 0.56 0 CA-C-N 114.596 -1.183 . . . . 70.01 110.487 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.4 p -73.99 83.83 1.75 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.545 0.738 . . . . 73.13 111.434 -175.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.3 p -122.39 120.85 35.2 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.39 1.076 . . . . 74.01 108.112 176.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.18 23.86 3.83 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.714 0.806 . . . . 74.24 110.618 -177.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -67.02 129.72 40.79 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.651 0.78 . . . . 63.13 110.627 -173.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.5 p -92.61 109.43 20.85 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.0 0.92 . . . . 73.25 109.479 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -96.12 -9.1 31.54 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.602 0.761 . . . . 73.04 111.598 -174.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.64 57.75 5.04 Favored Glycine 0 C--N 1.352 1.426 0 CA-C-N 116.748 -0.205 . . . . 71.34 113.16 -174.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.18 79.02 9.51 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 108.841 -0.799 . . . . 65.45 108.841 175.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.3 m -144.46 96.73 2.92 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.026 -0.988 . . . . 54.44 109.396 -176.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -138.74 118.73 13.36 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.133 0.573 . . . . 64.31 109.742 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -121.49 139.53 53.37 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 109.168 -0.679 . . . . 74.42 109.168 176.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -137.38 132.32 33.35 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 109.031 -0.729 . . . . 61.44 109.031 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.69 -116.8 0.85 Allowed Glycine 0 C--N 1.338 0.657 0 N-CA-C 109.979 -1.248 . . . . 52.23 109.979 -175.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.9 67.03 1.9 Allowed Glycine 0 C--N 1.341 0.823 0 CA-C-N 116.86 0.33 . . . . 72.13 112.492 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -65.29 112.63 8.81 Favored Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 123.896 0.878 . . . . 75.32 109.762 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -70.89 143.13 44.58 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.515 2.144 . . . . 72.13 111.894 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.18 112.68 2.6 Favored 'Trans proline' 0 C--N 1.371 1.76 0 C-N-CA 122.56 2.173 . . . . 62.04 111.622 178.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.2 -14.89 62.41 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.096 0.959 . . . . 61.32 112.418 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.1 tt -71.95 120.81 18.07 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.317 -0.623 . . . . 62.35 109.317 177.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.2 pt -119.05 139.9 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.267 1.027 . . . . 45.43 109.034 177.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.4 m -77.8 -25.98 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 123.479 0.712 . . . . 52.24 111.81 -175.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -140.29 113.01 7.35 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 123.58 0.752 . . . . 61.44 109.656 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -88.1 -10.27 4.97 Favored 'Trans proline' 0 C--N 1.37 1.681 0 C-N-CA 122.963 2.442 . . . . 71.23 113.847 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.47 -93.21 0.05 Allowed 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 118.492 0.587 . . . . 64.52 112.238 -173.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 48.7 tpp -140.95 87.29 2.09 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 108.753 -0.832 . . . . 62.24 108.753 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -113.1 113.62 25.67 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 106.198 -1.778 . . . . 72.33 106.198 170.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.4 ' HB2' ' SD ' ' A' ' 53' ' ' MET . 89.1 m-85 -59.55 99.53 0.06 Allowed 'General case' 0 CA--C 1.547 0.839 0 O-C-N 123.688 0.618 . . . . 74.44 110.003 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.1 mt -72.42 116.94 15.18 Favored 'Isoleucine or valine' 0 C--O 1.242 0.687 0 C-N-CA 123.48 0.712 . . . . 73.44 110.579 -175.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 48.7 t -64.84 121.5 14.75 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 108.586 -0.894 . . . . 74.44 108.586 176.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -67.93 -4.07 11.84 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 112.612 0.597 . . . . 74.23 112.612 -174.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.6 mt -112.89 -49.37 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 123.698 0.799 . . . . 63.54 111.344 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.646 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 26.5 p -107.35 -3.95 19.11 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.869 -0.519 . . . . 51.15 112.313 -170.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 75.6 -56.5 0.6 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 126.243 1.817 . . . . 53.41 113.093 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.83 135.11 57.45 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.296 0.639 . . . . 75.53 112.003 -175.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.38 30.25 7.41 Favored Glycine 0 N--CA 1.475 1.276 0 N-CA-C 110.907 -0.877 . . . . 65.31 110.907 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -88.81 -25.37 22.25 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.177 0.991 . . . . 74.32 110.758 -173.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.2 t -84.36 63.39 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 N-CA-C 107.629 -1.248 . . . . 54.3 107.629 168.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.7 ' HA ' ' HB2' ' A' ' 53' ' ' MET . 11.5 pt-20 -73.41 -20.21 60.79 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.519 -1.219 . . . . 73.44 111.237 -175.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -57.87 -35.07 70.45 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 124.405 1.082 . . . . 73.25 111.151 170.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.8 t -106.02 8.66 32.47 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.799 0.839 . . . . 71.04 111.795 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.7 ' HB2' ' HA ' ' A' ' 50' ' ' GLU . 4.2 tpt -67.83 102.55 1.26 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.985 0.514 . . . . 63.12 110.324 -175.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.2 mt -92.26 122.39 34.69 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.332 1.053 . . . . 73.52 108.994 176.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -111.59 116.08 30.23 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 108.269 -1.011 . . . . 74.12 108.269 -177.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.9 t -72.53 83.46 1.11 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.537 -0.912 . . . . 65.43 108.537 174.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -63.02 99.52 0.17 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.503 -0.771 . . . . 74.11 110.659 -178.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.87 -31.54 0.99 Allowed Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.412 -1.075 . . . . 72.33 110.412 -174.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.2 p -147.04 10.64 1.02 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.899 0.88 . . . . 74.12 112.367 -177.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 60.84 14.49 5.21 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 114.794 1.405 . . . . 64.41 114.794 171.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.447 ' HB3' ' HE2' ' A' ' 63' ' ' TYR . 51.6 m-20 -66.56 99.35 0.57 Allowed 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.179 0.445 . . . . 72.42 110.445 -176.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 m -83.54 126.99 33.37 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.566 -0.743 . . . . 74.45 109.497 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.447 ' HE2' ' HB3' ' A' ' 61' ' ' ASP . 89.6 m-85 -143.16 175.46 9.86 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.442 1.097 . . . . 73.1 108.717 177.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.667 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 45.3 m80 -113.22 166.02 11.85 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.104 -0.702 . . . . 74.35 109.104 165.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.5 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 50.3 p -57.4 -46.66 83.22 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 123.907 0.754 . . . . 72.15 111.027 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -81.42 -4.24 55.22 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.654 1.182 . . . . 75.22 113.194 -176.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.667 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 99.4 m -78.93 -50.52 11.04 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 118.423 0.556 . . . . 73.23 112.384 -175.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.432 ' H ' HD12 ' A' ' 68' ' ' LEU . 4.1 mp -70.93 174.45 6.15 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 113.088 0.773 . . . . 71.53 113.088 -173.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.6 tp -127.92 112.08 20.32 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 124.635 1.174 . . . . 73.04 107.956 171.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -73.73 135.51 40.39 Favored 'Cis proline' 0 C--N 1.379 2.16 0 CA-C-N 120.581 1.243 . . . . 54.02 113.358 4.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.77 122.13 8.56 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 122.622 2.215 . . . . 62.12 111.185 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.5 ' O ' ' HB ' ' A' ' 65' ' ' THR . 62.8 mt -70.99 88.43 0.76 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.378 1.071 . . . . 74.41 111.075 -176.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.1 p -70.09 -37.5 75.44 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 109.12 -0.696 . . . . 73.24 109.12 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.8 p -83.8 127.71 34.01 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.383 -0.826 . . . . 75.41 109.09 168.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.1 mm -58.77 130.23 85.57 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 124.437 1.095 . . . . 75.41 111.471 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -66.08 -179.9 1.61 Allowed 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 122.732 2.288 . . . . 72.12 112.68 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -83.08 35.9 0.5 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.03 0.932 . . . . 75.31 112.961 -170.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.98 -77.16 0.83 Allowed Glycine 0 C--N 1.35 1.332 0 N-CA-C 111.467 -0.653 . . . . 72.23 111.467 -173.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -68.16 99.69 0.93 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.072 0.949 . . . . 73.41 108.767 173.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -120.56 137.66 54.28 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.057 1.343 . . . . 73.54 109.123 -175.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.0 mt -122.12 146.19 47.45 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.719 0.808 . . . . 45.42 108.914 168.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.5 p -63.08 140.87 97.71 Favored Pre-proline 0 CA--C 1.55 0.974 0 CA-C-O 118.517 -0.754 . . . . 72.25 109.736 173.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -43.88 -34.72 6.34 Favored 'Trans proline' 0 C--N 1.382 2.294 0 C-N-CA 124.286 3.324 . . . . 73.5 115.511 -173.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -70.04 -39.61 75.63 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.703 0.801 . . . . 70.44 110.714 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 58.8 m -83.06 -20.11 35.58 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.445 0.698 . . . . 43.03 112.17 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.13 -44.56 95.41 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 N-CA-C 109.494 -0.558 . . . . 34.43 109.494 168.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.3 t -86.15 66.7 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 CA-C-O 122.598 1.189 . . . . 52.22 108.125 170.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -67.08 -42.36 84.79 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 114.043 -1.435 . . . . 71.42 112.036 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 59.38 -71.22 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.264 1.425 . . . . 64.54 112.157 -171.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 53.7 t 57.96 82.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.969 0 C-N-CA 124.652 1.181 . . . . 74.5 110.492 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.0 t -149.32 93.57 2.09 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.654 -1.239 . . . . 73.12 107.654 -176.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -148.46 143.11 16.99 Favored Pre-proline 0 C--O 1.244 0.776 0 CA-C-N 115.181 -0.918 . . . . 65.32 109.687 -169.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.15 112.15 1.21 Allowed 'Trans proline' 0 C--N 1.375 1.95 0 C-N-CA 122.278 1.986 . . . . 65.54 109.709 164.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 . . . . . 0 C--O 1.248 0.978 0 C-N-CA 123.645 0.778 . . . . 70.21 111.526 -171.181 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.646 'ZN ' ' SG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.7 t . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 109.838 -0.43 . . . . 72.13 109.838 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -64.51 -32.8 74.6 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.315 1.046 . . . . 71.43 111.581 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 52.2 ttm -88.99 126.03 35.24 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.724 0.81 . . . . 71.04 110.298 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.0 m -139.68 67.44 1.38 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.676 0.79 . . . . 71.32 109.361 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -103.05 99.35 1.78 Allowed Glycine 0 C--N 1.343 0.966 0 CA-C-N 115.705 -0.68 . . . . 22.24 112.012 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 153.03 19.24 0.05 OUTLIER Glycine 0 C--N 1.344 0.974 0 C-N-CA 123.067 0.365 . . . . 53.53 113.028 175.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.3 p -82.01 156.35 69.67 Favored Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 123.639 0.776 . . . . 44.22 110.615 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -87.62 19.53 1.34 Allowed 'Trans proline' 0 C--N 1.372 1.782 0 C-N-CA 122.759 2.306 . . . . 55.12 113.096 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.94 -40.77 98.66 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.94 0.896 . . . . 70.33 111.041 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.46 96.51 4.72 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 115.514 -0.766 . . . . 53.33 109.194 174.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 t -74.96 146.04 42.07 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 109.644 -0.502 . . . . 73.11 109.644 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.09 -169.98 21.45 Favored Glycine 0 C--N 1.344 1.018 0 CA-C-N 116.182 -0.463 . . . . 65.22 112.361 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.4 m -66.03 86.73 0.1 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.311 0.644 . . . . 55.33 111.038 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.4 m -144.8 78.74 1.58 Allowed 'General case' 0 C--O 1.238 0.459 0 N-CA-C 107.686 -1.227 . . . . 72.34 107.686 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.48 122.06 19.75 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.997 -1.002 . . . . 55.42 110.307 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -110.2 104.49 13.33 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.509 -0.923 . . . . 70.22 108.509 171.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.6 m -72.92 83.12 1.22 Allowed 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 108.931 -0.766 . . . . 73.11 108.931 175.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 -141.9 66.97 1.33 Allowed 'General case' 0 C--O 1.241 0.655 0 CA-C-O 122.228 1.014 . . . . 71.14 108.545 -176.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.53 147.73 18.71 Favored Glycine 0 C--O 1.242 0.652 0 CA-C-N 114.243 -1.344 . . . . 70.03 110.328 170.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.99 92.79 0.39 Allowed 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 109.419 -0.586 . . . . 61.44 109.419 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.2 m -86.01 57.82 4.7 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.399 1.079 . . . . 52.12 112.048 -170.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -161.76 99.92 1.13 Allowed 'General case' 0 C--O 1.238 0.499 0 N-CA-C 105.98 -1.859 . . . . 73.41 105.98 175.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HA ' ' HB3' ' A' ' 83' ' ' PRO . 37.3 mtmm -92.22 65.6 4.68 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.577 0.703 . . . . 52.21 112.119 -169.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -77.91 -9.01 58.86 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.422 -0.808 . . . . 73.34 110.318 164.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.36 33.04 5.52 Favored Glycine 0 C--N 1.35 1.317 0 N-CA-C 110.638 -0.985 . . . . 51.41 110.638 165.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.03 -16.53 80.67 Favored Glycine 0 C--N 1.36 1.907 0 C-N-CA 123.537 0.589 . . . . 53.11 112.636 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.437 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 13.6 mt-10 -63.62 120.71 65.25 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 124.23 1.012 . . . . 73.33 109.689 173.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 27' ' ' GLU . 16.7 Cg_exo -67.44 -175.14 0.63 Allowed 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 123.828 3.019 . . . . 63.44 112.103 -178.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -72.3 53.54 2.14 Favored 'Trans proline' 0 C--N 1.388 2.617 0 C-N-CA 122.365 2.043 . . . . 74.32 113.631 174.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.95 -50.13 72.01 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 108.621 -0.881 . . . . 51.11 108.621 172.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.97 88.51 5.92 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 106.384 -1.71 . . . . 72.34 106.384 165.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.6 pt -57.16 109.96 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 C-N-CA 124.014 0.926 . . . . 73.03 110.645 -177.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.9 p -117.72 142.17 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.918 0.887 . . . . 75.23 110.746 -171.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -146.17 78.5 11.3 Favored Pre-proline 0 CA--C 1.551 1.016 0 C-N-CA 124.673 1.189 . . . . 55.34 108.263 175.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -86.0 32.22 0.46 Allowed 'Trans proline' 0 C--N 1.376 2.025 0 C-N-CA 123.331 2.687 . . . . 74.31 113.786 -169.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.611 HD23 ' H ' ' A' ' 36' ' ' LEU . 1.9 pt? -83.42 4.85 25.82 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.72 0.408 . . . . 62.35 111.575 178.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 25.5 mmt -79.08 -66.89 0.81 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 107.955 -1.128 . . . . 74.01 107.955 164.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -140.37 131.66 26.66 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.229 1.411 . . . . 72.13 107.76 172.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -71.89 127.24 31.95 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.422 0.629 . . . . 74.22 111.208 -174.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.7 mt -114.99 133.66 60.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 C-N-CA 125.015 1.326 . . . . 61.4 109.728 -172.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 62' ' ' SER . 53.1 t -80.47 112.29 17.67 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 108.06 -1.089 . . . . 65.14 108.06 168.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -54.85 -42.32 71.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 124.19 0.931 . . . . 64.24 111.747 -174.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 58.3 mt -60.01 -45.85 94.91 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 C-N-CA 124.443 1.097 . . . . 74.14 111.278 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.669 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 29.3 m -80.88 -18.03 48.65 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.056 0.942 . . . . 74.42 111.574 -177.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 64.17 16.02 9.74 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.291 1.437 . . . . 73.31 112.049 -175.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.444 ' HG3' ' HB2' ' A' ' 48' ' ' ASP . 20.0 ptt-85 -162.04 174.62 12.76 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.003 0.921 . . . . 70.43 110.764 -177.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.21 -42.83 82.48 Favored Glycine 0 C--N 1.348 1.198 0 O-C-N 123.708 0.63 . . . . 41.15 112.227 175.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.444 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 27.5 t70 62.61 -89.15 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 124.629 1.172 . . . . 64.13 112.322 172.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.407 HG12 ' H ' ' A' ' 52' ' ' SER . 93.4 t -123.45 92.22 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 107.614 -1.254 . . . . 71.13 107.614 178.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -61.73 -30.22 70.63 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.45 1.1 . . . . 71.54 112.032 -172.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -66.85 -37.33 84.25 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.486 0.714 . . . . 74.44 111.64 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.407 ' H ' HG12 ' A' ' 49' ' ' VAL . 38.0 t -78.89 -20.33 49.71 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.047 0.539 . . . . 52.4 110.415 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.443 ' SD ' ' HB3' ' A' ' 62' ' ' SER . 48.6 ttm -72.97 117.61 14.91 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.005 0.922 . . . . 71.0 110.875 177.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.9 mp -91.16 151.42 20.97 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 107.916 -1.142 . . . . 73.13 107.916 169.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.6 123.04 44.26 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 107.509 -1.293 . . . . 75.23 107.509 -176.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 35.1 t -67.56 123.68 21.13 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.513 0.725 . . . . 63.14 111.534 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.76 -29.48 67.88 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.852 1.261 . . . . 75.23 111.846 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.19 0.62 66.52 Favored Glycine 0 C--N 1.345 1.043 0 CA-C-O 118.985 -0.897 . . . . 73.13 114.462 -174.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 25.8 p -171.4 -153.82 0.09 Allowed 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 117.627 0.713 . . . . 63.42 110.658 -175.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -118.19 -6.25 10.87 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.593 0.757 . . . . 75.44 112.564 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -63.5 139.42 58.77 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 118.815 0.734 . . . . 44.23 110.314 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.555 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 50.0 m -123.4 138.83 54.51 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.707 0.803 . . . . 73.21 109.3 -174.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.419 ' HB2' ' CH2' ' A' ' 80' ' ' TRP . 57.6 m-85 -143.34 149.8 38.28 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.81 0.844 . . . . 74.21 109.357 -178.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.647 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 38.6 m80 -87.78 160.63 17.97 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.213 0.605 . . . . 74.34 110.559 176.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.525 HG22 ' HB2' ' A' ' 72' ' ' LEU . 42.7 p -58.15 -54.83 42.52 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 123.924 0.765 . . . . 71.14 111.089 175.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -77.26 -14.34 59.77 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.005 -0.998 . . . . 45.22 112.514 -174.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.671 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 90.9 m -74.28 -14.47 60.91 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 113.437 0.903 . . . . 73.34 113.437 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 63.3 mt -108.75 150.46 27.56 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.582 0.753 . . . . 74.51 110.756 -177.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.2 mt -128.86 117.24 19.34 Favored Pre-proline 0 N--CA 1.479 1.025 0 N-CA-C 107.895 -1.15 . . . . 53.1 107.895 169.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -70.68 142.3 71.6 Favored 'Cis proline' 0 C--N 1.385 2.472 0 CA-C-N 120.649 1.268 . . . . 72.3 112.301 -0.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.463 ' HG2' HG23 ' A' ' 73' ' ' THR . 59.7 Cg_endo -68.97 161.13 47.04 Favored 'Trans proline' 0 C--N 1.373 1.855 0 C-N-CA 122.449 2.099 . . . . 71.21 111.964 -177.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.525 ' HB2' HG22 ' A' ' 65' ' ' THR . 49.8 mt -82.19 71.96 9.25 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.856 -0.794 . . . . 71.31 108.856 176.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.463 HG23 ' HG2' ' A' ' 71' ' ' PRO . 40.9 p -69.92 -27.82 65.1 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 114.753 -1.112 . . . . 63.42 110.325 -179.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.2 m -118.07 129.74 55.73 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 108.454 -0.943 . . . . 55.11 108.454 171.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.4 mm -78.45 121.86 84.27 Favored Pre-proline 0 C--O 1.247 0.928 0 C-N-CA 123.517 0.727 . . . . 75.41 109.529 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -72.64 99.33 1.04 Allowed 'Trans proline' 0 C--N 1.376 1.983 0 C-N-CA 121.934 1.756 . . . . 52.32 110.493 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -58.93 105.67 0.34 Allowed 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 114.566 -1.197 . . . . 71.34 109.825 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.58 20.35 2.92 Favored Glycine 0 N--CA 1.47 0.938 0 N-CA-C 109.876 -1.29 . . . . 50.11 109.876 -171.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 67.59 176.57 0.25 Allowed 'General case' 0 C--N 1.359 0.997 0 C-N-CA 126.305 1.842 . . . . 62.5 112.846 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.424 ' CZ2' ' HA ' ' A' ' 82' ' ' CYS . 55.8 t90 -123.0 144.75 49.05 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.337 0.655 . . . . 73.54 111.92 -164.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.5 mt -106.53 127.22 53.15 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 124.401 1.08 . . . . 73.44 109.411 171.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.46 ' SG ' ' HB3' ' A' ' 84' ' ' ARG . 32.0 p -67.23 158.34 82.04 Favored Pre-proline 0 N--CA 1.476 0.861 0 CA-C-O 117.939 -1.029 . . . . 63.41 110.583 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.472 ' HB3' ' HA ' ' A' ' 23' ' ' LYS . 86.2 Cg_exo -46.81 -36.83 20.41 Favored 'Trans proline' 0 C--N 1.382 2.305 0 C-N-CA 122.917 2.411 . . . . 62.45 113.824 177.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.46 ' HB3' ' SG ' ' A' ' 82' ' ' CYS . 31.8 tpt180 -63.08 -47.13 84.21 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.121 1.368 . . . . 74.12 111.205 176.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 79.9 m -79.56 -28.04 41.2 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.417 0.687 . . . . 62.41 112.425 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 82' ' ' CYS . 70.4 t -58.24 -55.85 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.037 0.935 . . . . 61.0 110.736 173.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.9 t 75.39 -53.45 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 C-N-CA 125.427 1.491 . . . . 73.44 111.415 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -77.27 -164.48 0.47 Allowed 'General case' 0 C--O 1.245 0.849 0 C-N-CA 124.242 1.017 . . . . 63.04 111.036 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -171.61 152.35 3.15 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.88 0.872 . . . . 62.25 109.355 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.55 81.97 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.094 0 N-CA-C 108.152 -1.055 . . . . 52.03 108.152 168.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 45.8 t -61.06 110.26 1.31 Allowed 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 114.796 -1.093 . . . . 73.12 109.453 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp 69.3 86.04 0.13 Allowed Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 125.317 1.447 . . . . 73.54 109.354 -171.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -57.93 170.88 1.84 Allowed 'Trans proline' 0 C--N 1.386 2.529 0 C-N-CA 123.922 3.081 . . . . 54.23 113.803 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 . . . . . 0 C--O 1.253 1.267 0 C-N-CA 125.026 1.331 . . . . 73.25 110.428 -175.731 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.671 'ZN ' ' SG ' ' A' ' 67' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.208 -0.293 . . . . 63.03 110.208 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -80.13 158.27 26.41 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 109.129 -0.693 . . . . 74.23 109.129 174.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.5 ttt -118.94 92.24 3.75 Favored 'General case' 0 C--O 1.244 0.788 0 C-N-CA 123.143 0.577 . . . . 73.01 109.857 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.2 p -75.6 91.16 2.82 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.965 -0.754 . . . . 64.2 108.965 174.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.49 69.45 1.75 Allowed Glycine 0 C--N 1.345 1.028 0 CA-C-N 115.768 -0.651 . . . . 61.31 112.576 -176.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.73 90.58 0.32 Allowed Glycine 0 C--N 1.348 1.2 0 N-CA-C 111.924 -0.47 . . . . 64.24 111.924 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.1 t -75.13 106.98 3.28 Favored Pre-proline 0 N--CA 1.477 0.902 0 C-N-CA 124.209 1.004 . . . . 73.44 109.919 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -93.31 90.52 0.15 Allowed 'Trans proline' 0 C--N 1.371 1.729 0 C-N-CA 122.919 2.413 . . . . 74.41 112.666 -177.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 70.1 mt -83.37 73.53 10.15 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 108.886 -0.783 . . . . 74.04 108.886 170.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.05 122.94 26.82 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 114.872 -1.058 . . . . 64.25 109.423 -175.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.7 p -66.58 140.69 57.97 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.781 0.832 . . . . 71.42 108.796 172.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.96 55.44 4.78 Favored Glycine 0 N--CA 1.478 1.457 0 O-C-N 123.271 0.357 . . . . 75.22 112.35 -177.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.0 m -78.25 84.15 4.47 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.027 0.931 . . . . 71.22 109.704 -173.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.5 m -140.36 111.84 7.31 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.922 0.889 . . . . 72.24 109.352 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.1 77.06 1.66 Allowed 'General case' 0 C--O 1.243 0.717 0 N-CA-C 107.93 -1.137 . . . . 62.24 107.93 174.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -75.79 94.0 3.23 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 114.972 -1.013 . . . . 74.13 109.62 -175.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.8 t -71.35 132.47 44.9 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.889 -0.596 . . . . 75.25 109.568 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.79 160.62 36.48 Favored 'General case' 0 C--O 1.244 0.765 0 C-N-CA 123.468 0.707 . . . . 71.01 109.457 -178.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.72 125.65 2.03 Favored Glycine 0 C--N 1.333 0.409 0 N-CA-C 110.224 -1.15 . . . . 74.43 110.224 177.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.448 ' HB1' HE22 ' A' ' 22' ' ' GLN . . . -138.24 107.91 6.24 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.53 0.732 . . . . 64.03 110.163 -175.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.5 m -130.95 70.57 1.46 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.797 -0.816 . . . . 74.22 108.797 175.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.448 HE22 ' HB1' ' A' ' 20' ' ' ALA . 1.7 mp0 -69.85 85.05 0.49 Allowed 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.215 -0.902 . . . . 74.23 109.733 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -66.43 -43.61 85.19 Favored 'General case' 0 C--N 1.348 0.515 0 C-N-CA 123.819 0.848 . . . . 74.14 109.661 173.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt 64.05 -167.54 0.21 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.739 1.216 . . . . 74.13 111.629 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.36 -146.19 40.36 Favored Glycine 0 C--N 1.348 1.218 0 CA-C-O 119.74 -0.478 . . . . 70.44 112.313 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.24 25.53 71.16 Favored Glycine 0 C--N 1.349 1.273 0 O-C-N 123.721 0.307 . . . . 74.25 113.128 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -87.03 115.78 63.8 Favored Pre-proline 0 N--CA 1.477 0.877 0 C-N-CA 124.007 0.923 . . . . 74.05 109.245 -177.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -56.16 114.9 2.11 Favored 'Trans proline' 0 C--N 1.375 1.95 0 C-N-CA 122.833 2.355 . . . . 71.2 111.569 178.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -69.14 115.36 3.97 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.627 2.218 . . . . 74.31 111.827 -173.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.89 91.95 1.22 Allowed 'General case' 0 C--N 1.35 0.627 0 C-N-CA 123.038 0.535 . . . . 62.13 109.66 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.4 mt -82.7 12.77 4.35 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.793 0.837 . . . . 54.54 111.827 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 42.5 pt -74.06 6.59 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.285 0 C-N-CA 124.636 1.174 . . . . 73.13 111.943 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.2 m -64.48 -15.81 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.567 1.147 . . . . 73.41 112.838 176.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -152.94 80.87 5.36 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 122.737 0.415 . . . . 64.24 111.313 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -94.7 7.78 2.16 Favored 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 122.994 2.463 . . . . 61.12 112.933 171.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tt -115.9 -32.78 5.32 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 122.944 0.498 . . . . 61.53 110.397 -174.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 24.0 ttt 83.01 -53.08 0.17 Allowed 'General case' 0 N--CA 1.495 1.825 0 C-N-CA 125.802 1.641 . . . . 74.33 111.684 -176.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? 63.72 174.88 0.17 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.443 1.097 . . . . 75.41 111.443 -171.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -89.68 68.21 7.55 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.669 0.747 . . . . 74.53 110.04 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.5 pp -75.36 163.76 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 114.808 -1.087 . . . . 74.32 111.034 174.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.539 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 48.6 t -69.9 106.13 3.06 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 107.102 -1.444 . . . . 75.3 107.102 168.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -65.76 -13.64 59.79 Favored 'General case' 0 CA--C 1.564 1.501 0 O-C-N 124.176 0.922 . . . . 74.44 112.4 -167.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.6 mt -94.56 -25.94 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 C-N-CA 123.407 0.683 . . . . 72.13 109.908 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 73.7 m -87.66 -57.27 3.01 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.397 0.679 . . . . 72.04 111.633 -175.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 80.23 -38.39 0.16 Allowed 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 125.461 1.504 . . . . 61.51 111.781 -173.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -51.75 -59.56 4.16 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.23 1.012 . . . . 74.24 111.259 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.59 38.71 10.36 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-N 115.846 -0.615 . . . . 55.44 113.288 175.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -97.97 168.66 10.15 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.059 0.543 . . . . 72.13 109.73 169.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.6 t 56.69 61.88 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 124.561 1.144 . . . . 75.3 110.146 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -28.54 70.12 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 114.104 -1.407 . . . . 65.53 112.604 -178.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.14 -20.45 63.16 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.188 0.595 . . . . 51.32 112.168 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.2 m -102.19 13.04 35.75 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.982 0.513 . . . . 74.1 111.023 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 68.1 mtt -85.24 111.51 19.91 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.78 0.432 . . . . 71.32 110.312 177.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.5 mp -89.28 134.23 34.14 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 108.505 -0.924 . . . . 75.31 108.505 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.83 118.3 36.52 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 107.368 -1.345 . . . . 63.13 107.368 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.646 ' HB3' ' HB2' ' A' ' 59' ' ' CYS . 44.1 t -68.1 117.16 9.57 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 109.425 -0.583 . . . . 71.23 109.425 175.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -58.98 -24.45 62.72 Favored 'General case' 0 CA--C 1.56 1.363 0 O-C-N 124.671 1.232 . . . . 73.13 112.195 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -118.38 45.87 1.21 Allowed Glycine 0 C--N 1.35 1.321 0 CA-C-N 115.387 -0.824 . . . . 54.23 113.647 175.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.646 ' HB2' ' HB3' ' A' ' 56' ' ' CYS . 72.8 m -156.04 -176.02 5.74 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 124.384 1.073 . . . . 65.53 109.782 171.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -116.52 20.14 14.28 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.868 1.267 . . . . 54.54 108.359 175.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -121.54 149.43 43.12 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 114.943 -1.026 . . . . 70.41 110.842 -168.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.9 t -114.11 146.66 39.96 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 107.616 -1.253 . . . . 62.15 107.616 170.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -142.22 140.9 32.46 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 108.466 -0.939 . . . . 71.11 108.466 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.731 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 41.9 m80 -76.47 160.59 29.37 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.669 0.606 . . . . 73.0 109.932 174.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.466 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 26.1 p -51.93 -48.8 64.07 Favored 'General case' 0 CA--C 1.551 1.01 0 O-C-N 124.558 1.161 . . . . 55.15 111.552 173.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -81.07 -20.69 41.01 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.618 1.167 . . . . 71.35 112.993 -174.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 74.5 m -71.19 -14.97 62.44 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 112.561 0.578 . . . . 73.43 112.561 -178.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.3 mt -113.55 162.31 16.33 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.811 0.844 . . . . 73.21 110.933 -176.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 pp -121.53 132.69 24.17 Favored Pre-proline 0 CA--C 1.548 0.902 0 N-CA-C 108.847 -0.798 . . . . 72.53 108.847 173.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -73.29 134.41 35.11 Favored 'Cis proline' 0 C--N 1.376 1.993 0 C-N-CA 124.095 -1.21 . . . . 60.0 112.013 -3.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -60.78 134.71 55.4 Favored 'Trans proline' 0 C--N 1.384 2.4 0 C-N-CA 122.837 2.358 . . . . 42.23 111.735 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.466 ' O ' ' HB ' ' A' ' 65' ' ' THR . 64.9 mt -88.89 136.1 33.19 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.208 0.603 . . . . 73.42 110.188 -173.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.5 p -76.8 -15.86 59.62 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.55 0.74 . . . . 75.32 112.083 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 63.1 m -156.4 172.39 18.59 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.355 1.062 . . . . 74.31 109.227 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 79.1 mt -85.46 109.5 22.14 Favored Pre-proline 0 CA--C 1.545 0.766 0 N-CA-C 107.017 -1.475 . . . . 70.13 107.017 172.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -69.69 99.3 0.73 Allowed 'Trans proline' 0 C--N 1.369 1.622 0 C-N-CA 122.767 2.311 . . . . 64.02 111.373 -177.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt 73.54 -71.3 0.14 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.088 1.355 . . . . 71.51 111.651 175.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 154.97 -45.79 0.54 Allowed Glycine 0 C--N 1.343 0.968 0 N-CA-C 110.349 -1.1 . . . . 72.23 110.349 -175.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.28 79.69 2.38 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.596 0.758 . . . . 71.34 109.624 172.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -103.95 138.53 40.37 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 108.489 -0.93 . . . . 52.12 108.489 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.542 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 86.1 mt -112.7 144.53 42.06 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.052 0.941 . . . . 70.41 109.347 174.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 29.2 p -66.07 157.72 79.52 Favored Pre-proline 0 CA--C 1.55 0.957 0 C-N-CA 123.25 0.62 . . . . 61.22 110.308 175.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.449 ' O ' HG23 ' A' ' 87' ' ' VAL . 11.6 Cg_endo -53.72 -27.31 42.05 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.742 2.295 . . . . 63.12 112.744 176.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.6 mtt-85 -71.41 -40.19 70.63 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.036 0.935 . . . . 71.43 110.367 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.542 ' HB2' ' HB3' ' A' ' 81' ' ' LEU . 94.3 m -66.84 -30.49 70.69 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.099 0.56 . . . . 71.02 111.811 176.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.82 -38.35 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 C-N-CA 123.548 0.739 . . . . 74.31 110.543 175.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 83' ' ' PRO . 73.5 t -77.3 -17.7 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 123.043 0.537 . . . . 72.22 111.69 -178.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.506 ' HG2' ' HA ' ' A' ' 85' ' ' CYS . 62.7 mm-40 -48.47 130.0 16.44 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.751 0.82 . . . . 71.14 112.5 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -69.13 -57.04 5.92 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 124.055 0.847 . . . . 72.25 108.73 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.9 t -95.46 103.92 15.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.669 0 N-CA-C 109.05 -0.722 . . . . 73.34 109.05 175.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.6 m -78.83 -46.71 18.1 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.528 0.731 . . . . 72.53 109.718 174.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -139.9 113.23 7.65 Favored Pre-proline 0 CA--C 1.551 1.004 0 C-N-CA 124.19 0.996 . . . . 72.31 108.838 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.79 122.99 12.73 Favored 'Trans proline' 0 C--N 1.378 2.131 0 C-N-CA 123.917 3.078 . . . . 71.42 112.786 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 . . . . . 0 C--O 1.251 1.184 0 C-N-CA 123.986 0.915 . . . . 71.21 108.601 177.059 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.659 'ZN ' ' SG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 65.9 p . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 110.569 -0.16 . . . . 74.33 110.569 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -137.08 97.86 3.6 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.525 -0.917 . . . . 64.54 108.525 176.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -118.73 39.06 3.59 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.023 0.929 . . . . 65.03 109.813 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.2 t -72.9 -22.05 60.81 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.029 0.931 . . . . 72.13 111.591 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.36 51.96 4.0 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 116.389 -0.369 . . . . 70.01 112.461 178.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.85 -23.04 78.55 Favored Glycine 0 C--N 1.352 1.467 0 C-N-CA 122.893 0.282 . . . . 72.13 112.764 -178.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.7 m -151.06 90.61 4.1 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 124.134 0.974 . . . . 74.44 108.376 171.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -69.33 116.07 4.34 Favored 'Trans proline' 0 C--N 1.368 1.558 0 C-N-CA 122.269 1.98 . . . . 72.45 111.796 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 mp -70.74 135.31 48.15 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 108.792 -0.818 . . . . 75.34 108.792 173.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.49 114.36 5.41 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.169 0.988 . . . . 72.52 110.338 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 48.9 p -64.61 92.93 0.1 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.181 0.993 . . . . 71.21 110.864 -176.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.55 -33.74 4.83 Favored Glycine 0 C--N 1.346 1.129 0 CA-C-N 115.416 -0.811 . . . . 71.41 112.69 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.3 m 68.89 -76.24 0.06 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.242 1.417 . . . . 70.21 110.856 -176.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -159.67 142.01 13.53 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.169 0.987 . . . . 55.22 108.694 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.98 83.54 5.87 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 123.127 0.571 . . . . 74.31 111.061 -175.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -84.67 139.93 31.68 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.543 0.737 . . . . 74.41 110.008 -178.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.2 p -132.05 163.43 28.47 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.801 0.84 . . . . 61.05 110.901 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -127.42 115.61 19.2 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 106.88 -1.526 . . . . 74.3 106.88 167.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.89 82.4 0.32 Allowed Glycine 0 CA--C 1.528 0.862 0 O-C-N 123.534 0.521 . . . . 14.51 112.637 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.13 72.5 1.0 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.833 0.853 . . . . 51.02 110.082 -176.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.0 m -82.64 -27.93 31.05 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.524 -0.762 . . . . 63.12 109.792 173.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 63.64 179.05 0.16 Allowed 'General case' 0 C--N 1.358 0.968 0 C-N-CA 125.423 1.489 . . . . 71.34 112.229 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.61 -47.11 0.97 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 107.339 -1.356 . . . . 55.33 107.339 177.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 92.9 mttt 66.91 -175.6 0.19 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.801 1.241 . . . . 73.41 112.627 176.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -147.57 24.41 1.51 Allowed Glycine 0 C--N 1.342 0.884 0 CA-C-O 119.737 -0.479 . . . . 52.4 112.799 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.19 58.35 8.98 Favored Glycine 0 C--N 1.349 1.253 0 N-CA-C 112.366 -0.293 . . . . 32.1 112.366 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.45 100.65 11.04 Favored Pre-proline 0 CA--C 1.556 1.177 0 C-N-CA 124.064 0.946 . . . . 73.01 109.534 -174.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -89.22 129.16 1.92 Allowed 'Trans proline' 0 C--N 1.382 2.32 0 C-N-CA 123.061 2.507 . . . . 65.1 113.058 -175.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -77.18 144.19 23.24 Favored 'Trans proline' 0 C--N 1.371 1.724 0 C-N-CA 122.646 2.231 . . . . 63.04 111.132 174.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.18 87.26 2.61 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.258 0.623 . . . . 45.03 110.151 -175.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.51 98.66 0.51 Allowed 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 107.791 -1.188 . . . . 75.33 107.791 171.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.0 mt -79.33 130.8 35.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 123.526 0.73 . . . . 71.01 109.419 176.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.1 m -104.19 93.33 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.014 0.926 . . . . 60.54 109.439 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -166.48 110.21 0.69 Allowed Pre-proline 0 N--CA 1.47 0.575 0 C-N-CA 123.963 0.905 . . . . 50.15 109.264 175.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -95.28 20.08 0.59 Allowed 'Trans proline' 0 C--N 1.366 1.467 0 C-N-CA 123.12 2.547 . . . . 74.22 111.912 172.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.0 mt 59.56 79.79 0.22 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 124.505 1.122 . . . . 63.13 110.538 -171.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.65 -57.1 14.5 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 115.544 -0.753 . . . . 75.3 109.832 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -77.63 131.95 38.02 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.544 -0.753 . . . . 74.12 109.558 175.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -70.95 85.88 0.7 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.66 1.184 . . . . 65.11 108.437 173.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.8 mt -68.32 118.06 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 109.042 -0.725 . . . . 71.3 109.042 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.473 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 41.5 t -63.65 112.04 2.65 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 108.371 -0.974 . . . . 54.31 108.371 175.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -53.31 -26.37 18.44 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.114 1.366 . . . . 64.51 112.909 -169.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.474 ' HB ' ' HB3' ' A' ' 67' ' ' CYS . 55.2 mt -92.82 -38.2 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 C-N-CA 123.509 0.723 . . . . 71.31 111.769 -174.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.837 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 31.5 p -115.56 0.41 13.3 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 112.697 0.629 . . . . 73.04 112.697 -170.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 61.18 10.1 2.8 Favored 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 125.575 1.55 . . . . 73.31 114.048 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -91.69 121.83 33.7 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.92 0.488 . . . . 75.3 111.653 -177.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.22 10.39 75.04 Favored Glycine 0 N--CA 1.475 1.242 0 N-CA-C 111.546 -0.622 . . . . 63.24 111.546 171.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -110.28 171.59 7.37 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.761 1.624 . . . . 51.45 108.13 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.5 t 60.93 43.33 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 CA-C-O 122.941 1.353 . . . . 71.14 109.176 -172.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.64 -23.27 67.31 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 114.094 -1.412 . . . . 71.24 111.996 -176.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.1 -37.77 86.33 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.357 0.663 . . . . 64.45 111.049 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -93.88 4.22 54.25 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.876 0.471 . . . . 52.03 110.31 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 44.0 ttm -94.93 114.98 26.89 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 123.373 0.669 . . . . 73.44 109.919 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mp -93.58 136.55 33.74 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 124.729 1.212 . . . . 74.45 107.981 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.406 HD13 ' N ' ' A' ' 56' ' ' CYS . 1.4 tm? -122.35 145.91 47.82 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 107.415 -1.328 . . . . 65.54 107.415 -177.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.406 ' N ' HD13 ' A' ' 55' ' ' LEU . 1.6 t -82.04 138.97 34.74 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.099 0.56 . . . . 70.15 110.88 -174.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -73.04 -27.6 61.85 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 121.209 0.528 . . . . 74.14 110.233 169.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -130.97 107.22 0.73 Allowed Glycine 0 C--N 1.347 1.169 0 CA-C-O 118.764 -1.02 . . . . 54.31 110.604 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 84' ' ' ARG . 18.4 p 84.39 104.4 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 C-N-CA 127.682 2.393 . . . . 74.45 108.735 173.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -73.42 121.35 20.36 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.51 1.124 . . . . 75.34 111.4 -164.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -155.06 126.67 7.42 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 107.374 -1.343 . . . . 72.32 107.374 171.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.9 m -91.99 123.19 35.17 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.359 0.663 . . . . 65.22 110.052 -178.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -130.25 142.36 50.56 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.614 0.766 . . . . 62.14 109.187 176.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.706 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 35.1 m80 -88.45 158.24 18.42 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 109.164 -0.68 . . . . 75.44 109.164 165.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.48 HG21 HG12 ' A' ' 75' ' ' ILE . 26.4 p -55.37 -53.66 53.47 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 124.241 0.963 . . . . 64.23 110.559 172.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.638 ' HA ' ' HB3' ' A' ' 71' ' ' PRO . 50.4 p90 -73.53 -22.66 60.05 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 114.773 -1.103 . . . . 65.5 112.684 -176.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.706 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 95.0 m -73.27 -31.58 64.16 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.062 0.545 . . . . 45.01 111.623 177.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.64 149.62 47.9 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.69 0.396 . . . . 63.15 109.991 175.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.3 mt -125.63 117.0 24.68 Favored Pre-proline 0 N--CA 1.479 1.002 0 N-CA-C 108.7 -0.852 . . . . 61.45 108.7 175.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 15.5 Cg_exo -70.19 141.09 65.6 Favored 'Cis proline' 0 C--N 1.382 2.306 0 CA-C-N 120.283 1.137 . . . . 72.22 113.106 -1.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.638 ' HB3' ' HA ' ' A' ' 66' ' ' PHE . 38.6 Cg_exo -59.7 137.48 77.32 Favored 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 123.45 2.767 . . . . 61.41 112.956 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.0 mt -81.6 88.26 6.22 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.335 0.654 . . . . 73.55 109.596 -177.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.3 p -65.08 -41.9 94.61 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 121.899 0.857 . . . . 73.32 109.035 172.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.5 m -89.09 115.47 26.65 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 114.029 -1.442 . . . . 71.12 108.261 167.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.48 HG12 HG21 ' A' ' 65' ' ' THR . 28.6 mt -84.46 124.84 73.07 Favored Pre-proline 0 CA--C 1.547 0.846 0 N-CA-C 108.717 -0.845 . . . . 72.13 108.717 178.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.71 81.15 0.46 Allowed 'Trans proline' 0 C--N 1.369 1.658 0 C-N-CA 122.551 2.167 . . . . 63.33 111.435 172.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.16 118.58 7.01 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 125.227 1.411 . . . . 63.3 109.168 177.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 123.68 -77.37 0.36 Allowed Glycine 0 C--O 1.241 0.584 0 O-C-N 123.633 0.583 . . . . 65.05 112.241 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -139.94 136.97 34.38 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.356 0.662 . . . . 73.2 109.94 -175.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -150.13 144.41 25.68 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 108.063 -1.088 . . . . 72.03 108.063 173.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.2 mt -119.58 138.1 53.43 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.559 0.744 . . . . 71.43 109.891 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 23.1 p -64.68 156.91 76.67 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 124.534 1.134 . . . . 33.14 111.861 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -46.85 -31.1 10.39 Favored 'Trans proline' 0 C--N 1.375 1.963 0 C-N-CA 123.752 2.968 . . . . 72.44 114.626 173.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.469 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 22.5 tpp180 -57.18 -43.46 82.67 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.133 0.973 . . . . 74.34 111.404 175.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.0 m -69.18 -36.35 77.24 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.154 0.581 . . . . 72.33 111.334 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 52.1 t -63.34 -28.03 44.24 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 115.195 -0.911 . . . . 70.24 110.595 -177.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.5 t -60.55 -37.94 76.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 123.503 0.721 . . . . 63.31 110.659 172.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -81.46 -16.64 51.37 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.455 0.702 . . . . 65.42 112.787 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -103.61 154.62 19.3 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.441 0.696 . . . . 64.0 111.191 -176.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 t 54.84 29.97 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 C-N-CA 125.051 1.341 . . . . 61.44 111.54 173.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.8 m -89.65 58.31 4.25 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.509 0.724 . . . . 62.24 111.888 -172.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -150.74 107.27 3.07 Favored Pre-proline 0 CA--C 1.55 0.97 0 N-CA-C 108.511 -0.922 . . . . 62.04 108.511 172.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -88.96 11.53 2.98 Favored 'Trans proline' 0 C--N 1.373 1.867 0 C-N-CA 122.863 2.375 . . . . 72.34 112.92 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 . . . . . 0 C--O 1.248 1.002 0 C-N-CA 124.022 0.929 . . . . 74.12 109.903 -179.458 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.837 'ZN ' ' HG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 110.024 -0.362 . . . . 74.45 110.024 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -89.1 125.2 34.93 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.402 -0.962 . . . . 63.24 108.402 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.7 ttt -71.55 86.75 0.89 Allowed 'General case' 0 C--O 1.243 0.735 0 N-CA-C 109.089 -0.708 . . . . 75.34 109.089 177.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.4 m -80.82 78.71 7.58 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 108.341 -0.985 . . . . 61.31 108.341 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -80.47 -43.36 9.4 Favored Glycine 0 C--N 1.343 0.966 0 CA-C-N 115.385 -0.825 . . . . 70.12 111.284 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.58 -152.85 49.83 Favored Glycine 0 C--N 1.357 1.697 0 O-C-N 124.074 0.514 . . . . 72.23 112.632 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 75.6 m -157.08 150.52 18.94 Favored Pre-proline 0 N--CA 1.477 0.882 0 C-N-CA 124.2 1.0 . . . . 74.23 110.106 177.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -66.21 72.14 0.39 Allowed 'Trans proline' 0 C--N 1.377 2.064 0 C-N-CA 122.862 2.375 . . . . 73.01 111.661 166.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -71.75 -13.64 61.77 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.759 0.824 . . . . 75.32 111.98 -173.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.42 29.7 0.43 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.147 0.979 . . . . 62.2 112.268 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.5 m -92.99 62.77 3.66 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-O 122.008 0.909 . . . . 64.41 109.348 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.38 76.5 2.03 Favored Glycine 0 C--N 1.343 0.929 0 N-CA-C 109.112 -1.595 . . . . 62.44 109.112 174.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -62.89 91.67 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.099 0.96 . . . . 61.43 112.151 -169.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.1 p -91.05 112.09 23.83 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 115.27 -0.877 . . . . 71.32 108.773 171.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.34 86.33 1.48 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.144 0.578 . . . . 73.51 109.545 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -78.4 73.0 4.96 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.957 0.903 . . . . 65.21 109.129 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.3 m -80.74 95.87 6.76 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.421 -0.809 . . . . 64.05 110.662 -175.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -99.1 75.36 2.03 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 106.751 -1.574 . . . . 73.1 106.751 172.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.06 84.36 0.7 Allowed Glycine 0 C--N 1.347 1.179 0 CA-C-N 115.619 -0.719 . . . . 74.23 112.876 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.77 85.6 7.27 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 108.924 -0.769 . . . . 63.44 108.924 174.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.0 t -93.76 102.08 14.21 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 123.703 0.801 . . . . 63.25 110.143 -173.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -76.86 143.62 39.56 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 108.645 -0.872 . . . . 73.21 108.645 173.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -70.05 -63.73 1.02 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 122.59 0.356 . . . . 64.52 111.069 -173.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -88.8 139.6 30.29 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 122.846 0.458 . . . . 71.43 110.155 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -145.1 -37.74 0.06 OUTLIER Glycine 0 C--N 1.34 0.762 0 CA-C-N 115.717 -0.674 . . . . 62.4 111.49 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.87 79.0 1.17 Allowed Glycine 0 C--N 1.344 1.025 0 O-C-N 123.899 0.411 . . . . 61.11 112.336 175.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.64 140.32 84.14 Favored Pre-proline 0 CA--C 1.558 1.271 0 C-N-CA 123.967 0.907 . . . . 73.5 110.414 176.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -68.39 132.37 25.48 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 122.588 2.192 . . . . 52.44 112.316 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -62.5 131.24 32.91 Favored 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 122.166 1.911 . . . . 71.54 112.127 175.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.42 132.3 41.83 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.915 0.486 . . . . 63.32 110.822 178.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.0 tp -74.45 148.25 41.25 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.129 -0.693 . . . . 73.33 109.129 174.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -71.61 91.18 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 N-CA-C 108.504 -0.924 . . . . 74.41 108.504 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 60.0 t -95.82 97.72 6.96 Favored 'Isoleucine or valine' 0 C--N 1.346 0.451 0 C-N-CA 124.249 1.02 . . . . 73.22 108.714 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -126.76 90.4 49.77 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 108.819 -0.808 . . . . 72.53 108.819 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -68.3 -22.85 39.31 Favored 'Trans proline' 0 C--N 1.371 1.752 0 C-N-CA 122.628 2.218 . . . . 72.54 111.929 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.1 mt -76.69 -1.2 26.65 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.023 -0.99 . . . . 74.23 112.235 -174.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 20.9 ptp -56.01 -31.31 62.96 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.356 0.598 . . . . 73.33 111.133 168.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.453 ' HG3' HG12 ' A' ' 40' ' ' ILE . 55.3 tptt -75.11 104.33 5.65 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 107.559 -1.275 . . . . 61.44 107.559 166.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -52.29 -72.06 0.06 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.503 1.121 . . . . 74.34 113.15 -174.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.453 HG12 ' HG3' ' A' ' 38' ' ' LYS . 24.3 mm 65.58 149.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 124.605 1.191 . . . . 61.14 111.885 -176.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.466 ' HG ' ' HG ' ' A' ' 44' ' ' CYS . 49.8 t -65.29 114.72 4.94 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 108.824 -0.806 . . . . 50.31 108.824 172.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.507 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 50.6 t-80 -70.13 -3.48 16.9 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.075 0.95 . . . . 70.53 112.857 -172.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.437 HD12 ' HB3' ' A' ' 67' ' ' CYS . 70.2 mt -107.97 -38.82 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 122.997 0.519 . . . . 55.24 110.429 174.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.679 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 84.2 m -82.92 -41.57 18.72 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.743 0.417 . . . . 41.24 111.703 -173.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 77.16 -36.58 0.25 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.703 1.601 . . . . 74.1 112.287 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -79.76 -45.25 19.2 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.237 0.615 . . . . 75.22 111.002 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.65 -73.44 0.48 Allowed Glycine 0 C--N 1.351 1.368 0 N-CA-C 111.583 -0.607 . . . . 74.03 111.583 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.6 t70 61.22 -82.62 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 124.457 1.103 . . . . 64.33 112.345 172.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.4 t -84.41 90.39 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 123.183 0.593 . . . . 63.41 109.561 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -71.01 -26.61 63.19 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.765 0.826 . . . . 71.25 111.234 175.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.29 -34.7 70.84 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.408 1.083 . . . . 74.03 112.747 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.5 m -102.91 14.32 32.23 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.568 0.347 . . . . 73.12 111.601 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 51.9 ttm -85.61 103.95 14.91 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.72 -0.845 . . . . 55.45 108.72 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.0 mt -83.96 150.58 25.56 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.588 1.155 . . . . 62.33 109.657 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -113.73 119.06 36.11 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 108.874 -0.788 . . . . 71.43 108.874 -175.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.4 t -78.95 91.05 4.78 Favored 'General case' 0 C--O 1.245 0.82 0 N-CA-C 108.808 -0.812 . . . . 72.52 108.808 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.98 96.09 3.11 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.561 0.745 . . . . 73.43 110.294 -176.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 156.81 -47.76 0.47 Allowed Glycine 0 CA--C 1.505 -0.546 0 N-CA-C 110.701 -0.959 . . . . 71.25 110.701 173.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.2 p -111.69 -6.07 14.39 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.303 0.641 . . . . 65.45 111.888 -173.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.8 t70 71.37 81.05 0.15 Allowed 'General case' 0 C--N 1.36 1.046 0 C-N-CA 123.981 0.913 . . . . 74.41 110.568 174.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -141.09 165.12 28.41 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 109.32 -0.622 . . . . 74.34 109.32 175.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 71.6 m -144.99 125.97 14.5 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.777 -0.647 . . . . 31.23 109.972 172.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.507 ' CE1' ' HB3' ' A' ' 42' ' ' HIS . 97.7 m-85 -141.89 146.43 35.75 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.88 0.872 . . . . 74.34 109.436 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.688 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 28.9 m80 -77.8 161.19 27.85 Favored 'General case' 0 C--O 1.248 1.003 0 N-CA-C 109.102 -0.703 . . . . 61.32 109.102 169.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.64 HG21 HG12 ' A' ' 75' ' ' ILE . 34.5 p -62.46 -42.93 99.82 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.392 -0.822 . . . . 52.33 110.119 171.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -90.32 50.81 1.9 Allowed 'General case' 0 CA--C 1.558 1.273 0 CA-C-N 115.058 -0.973 . . . . 74.14 110.836 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.688 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 83.3 m -134.68 -54.66 0.83 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.679 1.192 . . . . 54.12 108.561 175.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.8 mt -71.44 105.92 3.74 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 114.4 -1.273 . . . . 63.11 110.499 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.98 136.69 69.62 Favored Pre-proline 0 CA--C 1.552 1.037 0 C-N-CA 123.052 0.541 . . . . 70.01 110.834 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -69.48 132.2 21.18 Favored 'Cis proline' 0 C--N 1.383 2.376 0 CA-C-N 119.84 0.979 . . . . 63.42 111.685 -3.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -51.88 122.05 9.78 Favored 'Trans proline' 0 C--N 1.39 2.719 0 C-N-CA 123.423 2.748 . . . . 51.14 112.262 -171.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.3 mt -62.61 96.69 0.09 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.285 1.034 . . . . 73.43 109.814 -177.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.0 m -62.31 -33.38 74.57 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.858 0.863 . . . . 55.42 111.022 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.6 p -98.84 123.23 42.96 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 123.473 0.709 . . . . 62.1 109.443 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.64 HG12 HG21 ' A' ' 65' ' ' THR . 25.5 mt -91.61 113.21 57.93 Favored Pre-proline 0 N--CA 1.474 0.746 0 C-N-CA 124.55 1.14 . . . . 65.13 109.413 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.95 129.31 19.35 Favored 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 122.712 2.275 . . . . 72.15 112.896 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -78.62 -39.02 38.39 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 108.733 -0.84 . . . . 60.35 108.733 173.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.83 -178.79 34.78 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 114.874 -1.057 . . . . 53.35 112.781 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -65.18 142.05 58.46 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.439 0.695 . . . . 74.12 110.582 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -134.6 144.29 47.82 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.408 0.683 . . . . 62.04 110.572 -171.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.3 mt -127.13 143.59 51.23 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 124.565 1.146 . . . . 62.24 109.392 171.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.4 p -71.45 142.66 86.85 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 123.527 0.731 . . . . 72.11 110.861 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -47.65 -29.46 10.84 Favored 'Trans proline' 0 C--N 1.384 2.406 0 C-N-CA 123.71 2.94 . . . . 74.3 113.888 174.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -49.1 -60.39 2.83 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.549 1.14 . . . . 64.52 111.14 173.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.1 m -80.8 -24.17 38.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.205 -0.907 . . . . 51.32 111.654 -170.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.01 -30.82 48.4 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.079 0 CA-C-O 121.254 0.55 . . . . 73.13 109.908 172.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 67.0 t -87.32 -45.77 16.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 C-N-CA 123.418 0.687 . . . . 75.14 110.967 174.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -76.01 -12.86 60.21 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 114.528 1.307 . . . . 74.13 114.528 -168.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.89 -15.02 58.18 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-N 118.638 0.654 . . . . 64.4 111.412 174.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 44.3 t -117.56 142.1 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.454 0.701 . . . . 74.1 109.611 177.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.1 p -139.69 102.45 4.44 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 108.845 -0.798 . . . . 74.53 108.845 174.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 67.96 167.58 0.12 Allowed Pre-proline 0 N--CA 1.492 1.63 0 C-N-CA 124.958 1.303 . . . . 75.32 111.263 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -42.83 104.42 0.05 OUTLIER 'Trans proline' 0 C--N 1.386 2.536 0 C-N-CA 123.081 2.521 . . . . 75.31 113.043 166.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 . . . . . 0 CA--C 1.549 0.919 0 C-N-CA 124.672 1.189 . . . . 71.4 109.925 -171.793 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.679 'ZN ' ' SG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.6 m . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 110.2 -0.296 . . . . 63.23 110.2 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -158.06 177.19 11.59 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.735 0.814 . . . . 73.22 109.817 -177.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -69.52 105.2 2.56 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.568 -0.901 . . . . 74.41 108.568 172.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.3 t -136.8 159.11 42.82 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 123.268 0.627 . . . . 73.45 110.025 -173.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.66 -20.59 76.32 Favored Glycine 0 C--N 1.344 1.012 0 CA-C-N 115.632 -0.713 . . . . 74.21 111.673 172.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.05 -71.32 2.92 Favored Glycine 0 C--N 1.348 1.236 0 N-CA-C 111.56 -0.616 . . . . 70.33 111.56 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 63.1 m -149.85 143.23 16.49 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 124.065 0.946 . . . . 70.35 108.823 175.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -81.44 179.39 5.84 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 122.864 2.376 . . . . 63.42 112.011 174.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.8 mt -73.47 127.07 31.7 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.852 0.461 . . . . 74.22 109.892 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.54 78.98 3.23 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.182 0.593 . . . . 74.44 109.617 177.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -79.92 165.26 22.82 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.755 0.822 . . . . 72.35 111.462 -174.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.84 76.05 0.22 Allowed Glycine 0 C--N 1.337 0.617 0 N-CA-C 110.244 -1.142 . . . . 55.32 110.244 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.9 m -125.7 105.04 8.7 Favored 'General case' 0 C--O 1.24 0.603 0 C-N-CA 123.703 0.801 . . . . 73.33 110.224 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 97.5 m -141.85 143.09 33.19 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.912 1.285 . . . . 71.31 107.906 176.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.9 128.25 35.3 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 123.268 0.627 . . . . 71.33 109.895 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -62.53 97.46 0.1 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.489 1.116 . . . . 74.14 109.988 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.7 p -77.64 81.82 4.07 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.122 0.969 . . . . 72.32 111.538 -174.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -138.29 90.63 2.49 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.132 0.973 . . . . 64.14 109.239 177.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.56 145.01 17.56 Favored Glycine 0 C--N 1.351 1.385 0 CA-C-N 116.297 -0.41 . . . . 71.11 112.367 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.91 99.27 8.28 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.553 0.741 . . . . 70.21 111.701 -173.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.3 p -86.91 156.12 19.95 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.247 0.619 . . . . 74.44 110.161 172.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -124.14 -67.06 0.95 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.173 0.589 . . . . 75.02 110.294 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.512 ' HG3' ' H ' ' A' ' 24' ' ' LYS . 17.9 tptm 58.93 -173.66 0.1 Allowed 'General case' 0 CA--C 1.566 1.561 0 C-N-CA 124.442 1.097 . . . . 75.33 109.851 -172.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.512 ' H ' ' HG3' ' A' ' 23' ' ' LYS . 51.8 tptt 69.21 169.49 0.29 Allowed 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 124.045 0.938 . . . . 65.42 110.358 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.75 20.27 61.88 Favored Glycine 0 N--CA 1.472 1.073 0 O-C-N 121.776 -0.577 . . . . 53.02 112.885 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.24 44.94 3.23 Favored Glycine 0 C--N 1.344 1.028 0 C-N-CA 123.26 0.457 . . . . 74.3 112.601 -177.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -112.73 98.06 43.35 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 124.199 1.0 . . . . 65.04 108.731 176.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -69.42 163.45 37.96 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 123.313 2.675 . . . . 64.45 112.351 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -64.94 76.08 0.21 Allowed 'Trans proline' 0 C--N 1.384 2.412 0 C-N-CA 123.262 2.641 . . . . 74.51 111.887 177.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -164.35 6.66 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.667 1.187 . . . . 71.42 110.1 -173.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.8 tp -81.25 101.44 9.74 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 108.546 -0.909 . . . . 73.33 108.546 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 54.3 mt -70.48 93.01 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-O 121.548 0.69 . . . . 74.45 111.059 -175.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.3 t -72.28 151.33 8.28 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 107.394 -1.335 . . . . 61.44 107.394 164.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.62 ' HB3' ' HB2' ' A' ' 37' ' ' MET . 5.7 m-20 -46.49 105.2 0.45 Allowed Pre-proline 0 N--CA 1.488 1.471 0 C-N-CA 123.911 0.884 . . . . 51.2 111.223 -175.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.66 -57.67 0.79 Allowed 'Trans proline' 0 C--N 1.385 2.449 0 C-N-CA 123.544 2.829 . . . . 52.14 112.702 -170.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.4 mt -98.62 -65.83 0.94 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.662 -0.699 . . . . 62.43 109.162 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.62 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 25.2 ttt 44.22 83.19 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.961 1.304 . . . . 60.34 111.318 -173.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.1 tttm -127.45 2.65 6.26 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 108.701 -0.852 . . . . 74.12 108.701 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 61.1 69.46 0.67 Allowed 'General case' 0 C--N 1.36 1.032 0 C-N-CA 124.255 1.022 . . . . 75.11 108.933 -169.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.3 mt -94.97 155.96 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 113.922 -1.49 . . . . 71.32 110.926 -171.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.741 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 46.1 t -65.76 107.76 1.89 Allowed 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 108.925 -0.768 . . . . 64.44 108.925 173.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -71.99 2.63 5.37 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 125.332 1.453 . . . . 72.33 111.907 -171.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.9 mt -116.15 -32.07 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 C-N-CA 123.504 0.722 . . . . 41.54 110.201 174.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.891 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 91.7 m -82.78 -20.02 36.62 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 118.82 -0.61 . . . . 72.4 111.508 -178.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 76.9 -40.34 0.36 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 125.074 1.35 . . . . 64.23 112.065 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -104.71 165.33 11.14 Favored 'General case' 0 C--O 1.246 0.88 0 C-N-CA 124.024 0.93 . . . . 71.12 110.51 173.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.62 -41.62 99.04 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 115.168 -0.924 . . . . 70.24 112.625 176.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.9 t70 62.02 -88.81 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.077 1.351 . . . . 72.41 111.367 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.8 t -115.22 99.86 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 123.478 0.711 . . . . 51.1 109.319 175.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -67.73 -25.38 65.62 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.257 0.623 . . . . 74.31 111.845 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -64.64 -29.5 70.51 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.331 1.052 . . . . 72.33 112.646 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.3 m -111.15 13.13 21.87 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.207 0.603 . . . . 54.22 111.256 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 48.2 ttm -81.32 106.98 13.72 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 123.161 0.584 . . . . 74.43 109.778 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 53.3 mt -85.25 141.21 30.27 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 125.013 1.325 . . . . 73.43 109.341 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -116.18 120.96 40.68 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.573 0.749 . . . . 72.35 109.439 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.627 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 41.8 t -72.99 114.83 11.58 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 108.643 -0.873 . . . . 43.31 108.643 176.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -53.32 -43.1 67.36 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 124.354 1.034 . . . . 73.43 110.832 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.488 ' O ' ' SG ' ' A' ' 59' ' ' CYS . . . -99.31 43.22 1.86 Allowed Glycine 0 C--N 1.344 1.0 0 CA-C-N 115.744 -0.662 . . . . 70.11 113.467 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.802 ' HG ' 'ZN ' ' A' ' 102' ' ' ' ZN' . 90.3 m -162.32 -176.42 5.08 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.461 0.705 . . . . 70.4 110.773 172.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -100.64 -22.39 14.95 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.249 1.42 . . . . 65.45 109.445 171.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.19 148.27 48.84 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 125.048 1.339 . . . . 71.11 111.756 -175.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.6 m -130.64 146.82 52.22 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 114.399 -1.273 . . . . 73.31 107.759 170.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.433 ' HD2' ' HH2' ' A' ' 80' ' ' TRP . 99.0 m-85 -139.45 158.65 43.77 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.021 0.928 . . . . 75.41 108.512 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.814 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 38.3 m80 -86.68 166.65 15.17 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 108.758 -0.83 . . . . 70.44 108.758 167.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.653 HG21 HD13 ' A' ' 75' ' ' ILE . 10.1 p -62.16 -43.39 98.94 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.477 -0.783 . . . . 70.41 109.936 169.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -91.48 40.59 1.04 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.163 0.985 . . . . 72.33 112.43 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.814 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 88.0 m -126.55 -50.75 1.5 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.36 0.664 . . . . 72.23 110.267 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.554 HD11 ' HZ2' ' A' ' 80' ' ' TRP . 97.0 mt -61.48 153.32 27.6 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.487 -0.779 . . . . 64.02 111.487 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mp -111.24 115.65 52.12 Favored Pre-proline 0 CA--C 1.548 0.878 0 N-CA-C 107.909 -1.145 . . . . 74.23 107.909 174.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -79.43 147.35 78.8 Favored 'Cis proline' 0 C--N 1.383 2.389 0 CA-C-N 120.114 1.076 . . . . 64.01 112.895 2.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.55 123.91 11.0 Favored 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 122.326 2.017 . . . . 72.33 111.684 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.456 ' O ' ' HB ' ' A' ' 65' ' ' THR . 45.0 mt -66.31 108.79 2.44 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.735 0.814 . . . . 65.13 109.051 178.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.4 p -85.0 6.65 24.29 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.99 0.916 . . . . 65.1 111.288 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.6 m -140.27 140.87 35.83 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 124.399 1.079 . . . . 55.41 109.133 172.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.653 HD13 HG21 ' A' ' 65' ' ' THR . 29.3 mm -74.3 118.71 71.92 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 123.715 0.806 . . . . 74.14 110.088 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.57 108.66 1.26 Allowed 'Trans proline' 0 C--N 1.378 2.13 0 C-N-CA 122.686 2.258 . . . . 71.32 110.951 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -93.15 107.99 19.68 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.303 -0.862 . . . . 70.11 110.25 -174.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 139.89 -137.78 8.69 Favored Glycine 0 C--N 1.34 0.766 0 N-CA-C 110.765 -0.934 . . . . 74.4 110.765 -172.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -101.86 125.65 48.58 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 108.629 -0.878 . . . . 72.24 108.629 173.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.554 ' HZ2' HD11 ' A' ' 68' ' ' LEU . 78.6 t90 -107.65 134.53 50.5 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 123.672 0.789 . . . . 71.52 108.961 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.468 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 95.8 mt -113.36 144.27 43.05 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.985 0.914 . . . . 72.4 109.644 174.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 27.9 p -65.41 154.47 87.7 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 123.412 0.685 . . . . 73.1 110.949 174.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -51.58 -25.81 20.72 Favored 'Trans proline' 0 C--N 1.373 1.861 0 C-N-CA 123.092 2.528 . . . . 75.54 113.844 172.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -68.86 -40.84 79.12 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.488 0.715 . . . . 75.34 110.508 176.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.715 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 80.7 m -68.89 -28.34 66.59 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 122.861 0.464 . . . . 74.5 111.635 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.32 -39.33 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 O-C-N 124.175 0.922 . . . . 65.35 110.322 174.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.8 t -66.82 -37.11 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 123.501 0.721 . . . . 71.5 110.634 177.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -71.1 -29.0 64.73 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.815 0.846 . . . . 75.31 110.49 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 69.33 -170.94 0.18 Allowed 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.065 1.346 . . . . 63.41 109.733 -167.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 72.9 t -99.0 85.11 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 N-CA-C 108.083 -1.08 . . . . 70.44 108.083 171.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 45.3 m -77.27 75.76 3.83 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 121.801 0.81 . . . . 62.42 109.242 176.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -165.63 138.53 3.49 Favored Pre-proline 0 CA--C 1.547 0.853 0 CA-C-N 114.603 -1.181 . . . . 70.25 109.265 -171.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -70.37 74.76 1.53 Allowed 'Trans proline' 0 C--N 1.37 1.707 0 C-N-CA 122.77 2.313 . . . . 71.34 110.646 169.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.337 -0.847 . . . . 72.22 109.196 -177.948 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.891 'ZN ' ' HG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . 0.802 'ZN ' ' HG ' ' A' ' 59' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.5 t . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 109.682 -0.488 . . . . 74.55 109.682 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -119.58 113.17 20.3 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 124.291 1.036 . . . . 72.42 108.647 174.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.6 ptm -69.59 168.69 14.21 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.265 0.626 . . . . 71.05 110.937 177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.4 t -69.61 107.5 3.45 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 109.04 -0.726 . . . . 71.33 109.04 174.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.42 -17.36 43.55 Favored Glycine 0 C--N 1.347 1.175 0 C-N-CA 123.48 0.562 . . . . 73.12 112.097 -173.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.24 118.63 7.44 Favored Glycine 0 C--N 1.35 1.324 0 C-N-CA 123.164 0.412 . . . . 71.01 112.599 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.0 t -165.14 151.46 9.0 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 124.421 1.088 . . . . 42.23 108.946 -177.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -63.89 125.67 15.82 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 121.484 1.456 . . . . 71.33 109.813 168.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.89 90.18 1.11 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.891 0.876 . . . . 71.54 109.775 -173.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.25 82.22 1.35 Allowed 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 114.853 -1.067 . . . . 64.44 111.316 -173.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.1 p -82.66 81.28 8.5 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.153 -0.931 . . . . 74.24 108.726 173.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -125.35 128.66 6.66 Favored Glycine 0 C--N 1.346 1.085 0 CA-C-N 115.794 -0.639 . . . . 72.11 111.505 -178.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.3 p -116.51 158.72 23.16 Favored 'General case' 0 C--O 1.244 0.796 0 C-N-CA 123.937 0.895 . . . . 72.3 109.016 174.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -127.98 162.75 26.07 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.16 0.984 . . . . 71.34 109.684 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -164.02 84.91 0.46 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.461 0.705 . . . . 60.12 110.38 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -79.37 83.41 5.4 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 109.15 -0.685 . . . . 61.32 109.15 173.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.2 p -91.15 84.83 5.74 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 108.707 -0.849 . . . . 73.42 108.707 173.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -105.74 97.28 7.13 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.878 -1.055 . . . . 71.23 108.288 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -158.45 45.77 0.46 Allowed Glycine 0 C--N 1.341 0.847 0 CA-C-N 115.608 -0.724 . . . . 64.3 111.485 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.31 -10.73 59.88 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.754 0.821 . . . . 73.02 112.277 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.5 p -60.7 -26.41 67.12 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.068 0.947 . . . . 73.12 113.526 -176.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -71.23 102.63 2.59 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.001 0.52 . . . . 65.45 110.622 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -137.54 30.86 2.59 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.5 0.72 . . . . 70.11 109.11 174.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -75.79 141.28 42.56 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 114.944 -1.026 . . . . 75.55 110.108 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.49 37.66 0.06 OUTLIER Glycine 0 C--N 1.346 1.137 0 N-CA-C 112.237 -0.345 . . . . 40.05 112.237 175.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -162.27 75.48 0.18 Allowed Glycine 0 C--N 1.339 0.741 0 N-CA-C 110.994 -0.842 . . . . 54.53 110.994 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -72.61 133.51 82.59 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 123.611 0.765 . . . . 72.33 110.356 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -66.62 120.96 8.12 Favored 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.573 2.182 . . . . 65.43 112.026 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -63.34 90.64 0.14 Allowed 'Trans proline' 0 C--N 1.387 2.559 0 C-N-CA 122.989 2.459 . . . . 73.23 112.522 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.35 127.77 33.57 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 123.7 0.8 . . . . 71.23 109.686 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 pp -153.04 159.42 42.86 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.369 0.668 . . . . 71.43 111.375 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 pp -131.23 158.8 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.8 1.24 . . . . 61.24 108.584 174.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 51.5 t -132.56 103.82 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 N-CA-C 107.944 -1.132 . . . . 72.53 107.944 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -124.43 107.88 29.49 Favored Pre-proline 0 N--CA 1.476 0.855 0 C-N-CA 123.827 0.851 . . . . 62.02 111.218 -177.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.98 -2.94 13.21 Favored 'Trans proline' 0 C--N 1.37 1.684 0 C-N-CA 122.601 2.201 . . . . 54.13 112.014 162.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tt 71.48 -78.54 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.904 1.682 . . . . 75.13 109.691 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 65.8 mtt -63.57 -39.2 93.78 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.211 1.004 . . . . 74.11 110.863 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 tptp 53.38 88.67 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 O-C-N 124.693 1.246 . . . . 71.51 110.872 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.608 ' HB3' ' HG2' ' A' ' 53' ' ' MET . 99.0 m-85 -75.77 93.19 3.1 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.498 0.719 . . . . 74.53 110.204 -173.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.3 mt -90.28 111.15 22.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 108.241 -1.022 . . . . 71.33 108.241 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 47.4 t -58.05 124.29 18.81 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.393 0.677 . . . . 74.14 109.765 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -75.89 -8.19 56.32 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.658 0.783 . . . . 73.2 111.499 -174.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.6 mt -93.94 -40.35 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.059 0 C-N-CA 123.63 0.772 . . . . 71.44 109.07 175.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.743 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 56.5 m -84.06 -32.98 24.55 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.894 0.878 . . . . 72.13 112.533 -176.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 63.66 13.21 7.17 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 125.106 1.363 . . . . 72.22 111.385 -164.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -110.65 -72.74 0.71 Allowed 'General case' 0 C--N 1.354 0.786 0 C-N-CA 123.681 0.793 . . . . 74.04 109.295 -176.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.72 43.28 4.86 Favored Glycine 0 C--N 1.35 1.353 0 N-CA-C 110.588 -1.005 . . . . 64.52 110.588 -168.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -44.78 -72.33 0.06 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.665 1.586 . . . . 72.13 112.035 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.402 HG12 ' H ' ' A' ' 52' ' ' SER . 17.2 t -106.88 90.98 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 108.849 -0.796 . . . . 74.14 108.849 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.486 ' HA ' ' HB2' ' A' ' 53' ' ' MET . 54.8 mt-10 -73.09 -21.35 60.77 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.578 0.751 . . . . 74.15 110.623 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.11 -34.91 78.62 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.228 1.011 . . . . 62.24 110.927 173.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.402 ' H ' HG12 ' A' ' 49' ' ' VAL . 48.0 m -103.94 20.05 18.88 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.792 0.837 . . . . 74.14 110.92 178.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.608 ' HG2' ' HB3' ' A' ' 39' ' ' TYR . 53.0 tpp -77.03 125.16 28.86 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 116.006 -0.543 . . . . 75.35 109.921 178.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.467 HD11 HG22 ' A' ' 65' ' ' THR . 85.4 mt -88.51 115.96 26.4 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.315 -0.994 . . . . 74.13 108.315 168.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -99.85 116.71 32.55 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.233 -1.766 . . . . 72.23 106.233 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.616 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 41.6 t -65.48 105.55 1.21 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.355 -0.609 . . . . 53.45 109.355 174.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.43 -33.31 74.56 Favored 'General case' 0 N--CA 1.483 1.209 0 O-C-N 123.741 0.651 . . . . 74.35 110.964 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.01 28.72 8.29 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 115.318 -0.855 . . . . 70.34 112.962 178.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.763 ' HG ' 'ZN ' ' A' ' 102' ' ' ' ZN' . 85.1 m -145.97 -78.48 0.18 Allowed 'General case' 0 C--N 1.353 0.722 0 C-N-CA 123.87 0.868 . . . . 51.42 108.989 172.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.4 t70 140.8 -24.95 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 126.997 2.119 . . . . 72.43 108.103 -162.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -74.89 134.09 41.69 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.712 0.634 . . . . 51.42 112.712 -162.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.55 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 66.0 m -89.07 136.13 33.18 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.864 0.865 . . . . 70.24 110.235 178.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -141.48 134.11 28.51 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.891 1.276 . . . . 73.33 108.415 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.688 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 29.0 m170 -78.21 147.86 34.26 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 118.777 0.717 . . . . 60.44 109.431 166.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.65 HG21 HG12 ' A' ' 75' ' ' ILE . 32.0 p -55.37 -48.59 74.06 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.07 0.948 . . . . 61.43 110.485 173.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -82.94 -3.33 56.95 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.919 1.287 . . . . 71.23 113.18 -173.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.743 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 74.5 m -98.99 -17.34 18.35 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 122.956 0.502 . . . . 52.32 111.527 176.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 42.0 mt -71.04 164.4 25.64 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.488 0.715 . . . . 73.33 111.496 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.7 mt -130.07 111.63 17.03 Favored Pre-proline 0 CA--C 1.553 1.066 0 N-CA-C 108.863 -0.792 . . . . 72.42 108.863 173.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 71.6 Cg_endo -74.16 141.16 70.94 Favored 'Cis proline' 0 C--N 1.377 2.064 0 CA-C-N 120.01 1.039 . . . . 70.23 112.259 -0.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 70' ' ' PRO . 29.5 Cg_exo -60.78 127.22 21.85 Favored 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 122.706 2.27 . . . . 71.31 111.171 178.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.6 mt -81.84 100.08 9.39 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.31 0.644 . . . . 73.41 109.746 -177.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.3 m -64.06 -26.2 68.45 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.715 0.806 . . . . 61.44 110.858 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.5 m -110.66 132.83 53.86 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 124.215 1.006 . . . . 73.34 108.926 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.65 HG12 HG21 ' A' ' 65' ' ' THR . 50.6 mt -83.33 124.13 76.26 Favored Pre-proline 0 CA--C 1.548 0.886 0 N-CA-C 109.133 -0.691 . . . . 75.45 109.133 177.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -61.16 140.43 89.15 Favored 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 122.585 2.19 . . . . 64.33 110.74 168.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.468 ' O ' ' HD2' ' A' ' 77' ' ' LYS . 0.2 OUTLIER -61.87 97.43 0.08 Allowed 'General case' 0 CA--C 1.56 1.329 0 CA-C-O 121.931 0.872 . . . . 74.33 111.034 -176.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.03 -76.9 2.18 Favored Glycine 0 C--N 1.34 0.785 0 CA-C-N 115.26 -0.882 . . . . 71.53 113.765 164.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -106.85 120.16 41.27 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.902 0.881 . . . . 73.41 110.845 -173.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.426 ' CH2' ' HA ' ' A' ' 82' ' ' CYS . 74.4 t90 -121.99 155.42 35.6 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.326 1.451 . . . . 71.34 109.442 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.456 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 81.1 mt -115.22 136.48 53.06 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.827 0.851 . . . . 64.24 110.121 177.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.65 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 30.4 p -59.45 154.22 45.0 Favored Pre-proline 0 CA--C 1.553 1.086 0 C-N-CA 123.536 0.735 . . . . 73.25 111.324 177.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -49.89 -26.59 14.26 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 123.47 2.78 . . . . 51.43 113.631 172.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -75.68 -28.4 58.65 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.019 0.528 . . . . 74.3 111.593 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.678 ' SG ' 'ZN ' ' A' ' 102' ' ' ' ZN' . 86.3 m -79.46 -38.05 35.51 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 122.824 0.45 . . . . 74.34 110.266 174.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.7 t -70.1 -44.67 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 124.241 1.016 . . . . 60.2 111.29 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.436 ' O ' HG22 ' A' ' 90' ' ' VAL . 91.5 t -80.45 -18.81 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 123.006 0.522 . . . . 55.22 110.373 175.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 62.6 -85.09 0.02 OUTLIER 'General case' 0 C--N 1.359 0.996 0 C-N-CA 125.015 1.326 . . . . 74.3 110.432 -175.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -168.28 21.33 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.676 1.19 . . . . 74.11 108.034 175.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 87' ' ' VAL . 31.0 m -100.59 65.68 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 121.936 0.874 . . . . 75.2 110.578 -175.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.5 m -75.67 82.95 2.67 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 107.952 -1.129 . . . . 72.32 107.952 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -110.0 106.51 58.26 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 123.922 0.889 . . . . 63.01 109.768 -174.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -66.93 -58.58 0.14 Allowed 'Trans proline' 0 C--N 1.37 1.676 0 C-N-CA 122.112 1.875 . . . . 72.44 109.335 162.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 . . . . . 0 N--CA 1.487 1.42 0 C-N-CA 125.64 1.576 . . . . 71.22 108.716 171.109 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.629 'ZN ' ' SG ' ' A' ' 67' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . 0.763 'ZN ' ' HG ' ' A' ' 59' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 N--CA 1.482 1.129 0 N-CA-C 111.766 0.284 . . . . 71.12 111.766 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -138.89 162.5 34.67 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.063 0.545 . . . . 75.01 109.917 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -75.77 70.08 2.51 Favored 'General case' 0 CA--C 1.562 1.439 0 CA-C-O 121.974 0.892 . . . . 74.3 110.351 172.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.3 m -68.26 93.95 0.49 Allowed 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.367 -0.833 . . . . 73.21 110.91 -174.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 168.73 63.23 0.03 OUTLIER Glycine 0 C--N 1.342 0.878 0 CA-C-N 115.227 -0.897 . . . . 74.33 111.279 -177.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.71 110.98 0.46 Allowed Glycine 0 C--N 1.337 0.623 0 N-CA-C 110.681 -0.968 . . . . 65.15 110.681 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.4 p -146.13 140.63 15.68 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 123.309 0.644 . . . . 41.44 110.119 -177.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.76 159.45 42.13 Favored 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 122.551 2.168 . . . . 65.43 112.086 175.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 pp -151.65 147.18 26.43 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 123.232 0.613 . . . . 74.02 110.712 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -169.98 85.46 0.12 Allowed 'General case' 0 C--O 1.242 0.692 0 C-N-CA 124.525 1.13 . . . . 22.21 108.542 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 48.0 m -141.25 104.06 4.55 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 107.983 -1.117 . . . . 54.41 107.983 176.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.85 64.68 0.02 OUTLIER Glycine 0 C--N 1.341 0.81 0 N-CA-C 111.265 -0.734 . . . . 62.21 111.265 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.8 t -99.33 152.04 20.39 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.586 -0.524 . . . . 72.43 109.586 173.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 t -161.54 119.28 2.28 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 108.375 -0.972 . . . . 74.24 108.375 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -155.14 81.09 1.06 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.015 0.526 . . . . 63.23 110.592 -174.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -148.54 93.37 2.13 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 108.966 -0.753 . . . . 62.53 108.966 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 t -88.14 136.17 33.09 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.007 -0.542 . . . . 64.0 109.559 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -144.54 102.37 3.81 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.963 0.505 . . . . 75.21 109.712 -177.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.64 98.67 0.12 Allowed Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.272 -0.731 . . . . 75.5 111.272 178.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.83 114.2 5.57 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.568 0.747 . . . . 73.52 109.522 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 51.0 m -124.69 93.48 3.91 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.652 0.781 . . . . 74.23 109.763 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -89.48 103.14 15.8 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.476 0.71 . . . . 71.2 109.368 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -150.76 108.69 3.7 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 109.746 -0.464 . . . . 75.02 109.746 176.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -157.91 -169.27 2.77 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.602 1.161 . . . . 65.43 108.957 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.21 -152.81 21.47 Favored Glycine 0 C--N 1.344 1.026 0 CA-C-O 119.825 -0.43 . . . . 55.44 112.075 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.26 32.53 84.11 Favored Glycine 0 C--N 1.351 1.377 0 O-C-N 123.612 0.242 . . . . 62.35 113.175 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -70.42 115.79 38.49 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 124.089 0.956 . . . . 73.04 109.791 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -91.29 100.64 0.23 Allowed 'Trans proline' 0 C--N 1.384 2.398 0 C-N-CA 123.164 2.576 . . . . 32.13 112.165 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -90.75 86.37 0.33 Allowed 'Trans proline' 0 C--N 1.379 2.136 0 C-N-CA 122.484 2.123 . . . . 72.25 111.628 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.43 98.17 0.47 Allowed 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.141 -0.936 . . . . 65.41 109.881 174.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.3 mt -83.61 69.42 10.12 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.531 0.732 . . . . 64.1 110.306 -176.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.6 mm -90.05 104.69 15.44 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 N-CA-C 105.894 -1.891 . . . . 71.41 105.894 168.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.5 m -55.72 -30.79 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.444 1.098 . . . . 63.11 113.034 -168.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -107.22 138.58 19.92 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 124.336 1.055 . . . . 63.43 109.424 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -93.49 17.95 1.01 Allowed 'Trans proline' 0 CA--C 1.551 1.372 0 C-N-CA 122.664 2.242 . . . . 62.13 112.941 167.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -145.41 -65.97 0.32 Allowed 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 111.971 0.36 . . . . 65.54 111.971 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 25.9 ptt? 173.1 160.11 0.12 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.746 1.218 . . . . 73.31 109.833 -173.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 1.8 mppt? -127.65 153.65 46.2 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 106.53 -1.656 . . . . 63.22 106.53 157.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -74.0 -47.69 35.44 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.657 -0.497 . . . . 75.24 109.657 171.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.1 mt 66.92 152.55 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.559 1.304 0 C-N-CA 125.131 1.372 . . . . 74.43 111.71 -176.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.517 ' HB3' ' SG ' ' A' ' 44' ' ' CYS . 41.0 t -77.51 110.6 12.42 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 108.906 -0.776 . . . . 53.24 108.906 174.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -58.76 -16.89 18.88 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 125.141 1.376 . . . . 74.44 113.519 -171.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.5 mt -101.02 -39.76 7.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 123.292 0.637 . . . . 45.5 111.121 -175.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.517 ' SG ' ' HB3' ' A' ' 41' ' ' CYS . 32.1 p -105.27 2.4 28.95 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.945 -0.472 . . . . 62.32 112.269 -171.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 75.85 -21.54 0.31 Allowed 'General case' 0 N--CA 1.499 1.98 0 C-N-CA 125.071 1.348 . . . . 72.34 113.76 170.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -114.54 148.33 38.12 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 121.612 -0.68 . . . . 74.4 110.753 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.96 47.3 1.39 Allowed Glycine 0 C--N 1.344 1.0 0 CA-C-N 115.285 -0.87 . . . . 61.14 111.142 173.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -94.94 160.18 14.7 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.37 1.068 . . . . 72.3 108.626 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.0 t 58.07 55.89 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 CA-C-O 122.548 1.166 . . . . 74.32 108.81 -174.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 53' ' ' MET . 34.3 mt-10 -63.43 -23.6 67.47 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 114.034 -1.439 . . . . 72.34 112.916 -173.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -72.76 -21.3 61.03 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.255 0.622 . . . . 75.43 112.007 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.4 t -96.54 -5.41 39.4 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 122.757 0.423 . . . . 74.32 111.965 -177.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.563 ' HA ' ' HA ' ' A' ' 64' ' ' HIS . 22.3 ptp -88.8 128.33 35.64 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-O 121.412 0.625 . . . . 61.22 109.796 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.484 ' HB3' ' HB3' ' A' ' 80' ' ' TRP . 87.2 mt -97.59 132.11 43.55 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.631 -1.168 . . . . 75.04 108.177 175.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.8 131.55 46.64 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 107.672 -1.233 . . . . 74.43 107.672 -175.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 41.2 t -79.89 117.39 20.71 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 122.952 0.501 . . . . 74.54 109.996 176.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.36 -36.32 81.88 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.113 0.965 . . . . 72.53 111.164 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -93.51 25.01 23.02 Favored Glycine 0 C--N 1.354 1.543 0 CA-C-N 115.716 -0.674 . . . . 61.41 113.732 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.82 ' HG ' 'ZN ' ' A' ' 102' ' ' ' ZN' . 76.2 m -150.56 -169.37 3.37 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.83 1.252 . . . . 73.44 108.379 173.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -116.21 -4.35 11.92 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.708 0.803 . . . . 72.15 110.13 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -92.56 154.64 18.3 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.334 0.654 . . . . 74.25 111.56 -165.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.5 p -118.16 127.93 54.23 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.689 1.196 . . . . 61.23 109.957 175.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -126.18 125.2 42.07 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.925 0.89 . . . . 75.42 109.541 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.682 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 49.4 m80 -67.14 152.64 45.4 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.351 0.26 . . . . 74.32 110.64 174.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.9 p -59.49 -42.63 92.57 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 124.291 0.994 . . . . 44.12 110.735 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -79.93 -30.65 39.98 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.803 0.841 . . . . 64.13 112.678 -177.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.682 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 88.6 m -64.5 -27.79 69.21 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.072 0.549 . . . . 64.03 111.906 178.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.6 mt -76.93 137.5 39.13 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.247 0.619 . . . . 75.41 110.056 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.6 mp -121.25 118.18 30.17 Favored Pre-proline 0 CA--C 1.56 1.357 0 N-CA-C 108.388 -0.967 . . . . 72.2 108.388 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.03 146.84 85.91 Favored 'Cis proline' 0 C--N 1.385 2.48 0 CA-C-N 120.509 1.218 . . . . 54.53 111.697 -3.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.05 147.0 91.72 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.304 2.003 . . . . 64.15 112.294 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.43 HD12 HD12 ' A' ' 54' ' ' LEU . 72.8 mt -74.07 79.19 1.72 Allowed 'General case' 0 C--O 1.238 0.492 0 N-CA-C 108.88 -0.785 . . . . 74.44 108.88 174.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 59.9 p -69.58 -30.47 68.25 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 108.899 -0.778 . . . . 74.5 108.899 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.9 p -96.86 108.56 21.27 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.299 -0.864 . . . . 64.41 109.109 163.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 63.3 mt -83.92 126.47 70.33 Favored Pre-proline 0 CA--C 1.546 0.826 0 CA-C-N 114.685 -1.143 . . . . 73.44 108.315 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -78.85 71.43 6.97 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.692 2.261 . . . . 73.4 113.629 -169.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? 72.5 -36.58 0.36 Allowed 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 125.866 1.667 . . . . 65.43 114.05 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.54 -47.53 0.39 Allowed Glycine 0 C--N 1.34 0.803 0 N-CA-C 110.763 -0.935 . . . . 52.43 110.763 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.64 144.48 26.64 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.956 0.902 . . . . 73.25 110.152 178.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.484 ' HB3' ' HB3' ' A' ' 54' ' ' LEU . 60.4 t90 -141.59 143.13 33.54 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.577 0.751 . . . . 74.31 110.375 -172.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.2 mt -103.28 135.61 44.6 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.282 0.633 . . . . 75.24 109.429 171.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 29.7 p -65.98 148.48 98.32 Favored Pre-proline 0 CA--C 1.548 0.871 0 O-C-N 123.945 0.778 . . . . 75.42 110.777 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.452 ' O ' HG23 ' A' ' 87' ' ' VAL . 88.9 Cg_exo -47.26 -34.71 18.86 Favored 'Trans proline' 0 C--N 1.381 2.256 0 C-N-CA 123.623 2.882 . . . . 73.34 113.028 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -57.31 -48.48 78.84 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.867 1.267 . . . . 74.31 111.452 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 80.1 m -65.63 -35.88 82.08 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.481 0.712 . . . . 54.12 111.2 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.0 t -72.64 -25.36 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 CA-C-N 114.31 -1.314 . . . . 64.21 111.489 -178.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 83' ' ' PRO . 78.3 t -55.5 -50.53 65.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 C-N-CA 123.347 0.659 . . . . 72.44 111.058 175.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -83.64 163.88 20.04 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.473 -0.785 . . . . 70.34 110.321 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -73.26 111.2 8.16 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.509 0.724 . . . . 64.1 110.89 -178.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.5 p -76.23 -16.32 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 123.858 0.863 . . . . 53.13 110.262 173.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.3 m 75.15 74.43 0.1 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.019 1.728 . . . . 71.2 112.037 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -96.14 114.84 65.01 Favored Pre-proline 0 CA--C 1.552 1.03 0 N-CA-C 107.746 -1.205 . . . . 65.12 107.746 166.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -67.72 88.1 0.35 Allowed 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 123.421 2.747 . . . . 72.32 113.107 -172.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 . . . . . 0 C--O 1.252 1.191 0 C-N-CA 125.342 1.457 . . . . 65.12 107.926 174.504 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . 0.82 'ZN ' ' HG ' ' A' ' 59' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.58 0.229 . . . . 64.31 110.676 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -74.13 88.52 1.95 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.418 0.687 . . . . 72.22 110.265 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.8 tpt -84.43 84.4 7.66 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 108.913 -0.773 . . . . 73.41 108.913 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.4 m -76.4 89.64 3.21 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.953 -1.021 . . . . 54.24 109.72 177.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.91 60.53 4.88 Favored Glycine 0 C--N 1.345 1.073 0 CA-C-N 115.771 -0.65 . . . . 72.44 111.741 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.83 127.96 4.25 Favored Glycine 0 C--N 1.346 1.095 0 N-CA-C 110.56 -1.016 . . . . 62.12 110.56 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.431 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 20.3 m -69.43 131.76 89.91 Favored Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 123.395 0.678 . . . . 72.4 110.88 -176.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 7' ' ' SER . 11.7 Cg_exo -71.05 121.56 7.96 Favored 'Trans proline' 0 C--N 1.382 2.324 0 C-N-CA 122.628 2.219 . . . . 72.14 111.571 178.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 pp -155.15 166.25 34.17 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 123.992 0.917 . . . . 74.34 110.099 176.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -164.09 97.62 0.82 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.987 0.915 . . . . 61.03 108.73 175.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.1 m -77.17 92.21 3.8 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.234 0.614 . . . . 74.14 109.575 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.99 100.64 0.86 Allowed Glycine 0 C--N 1.346 1.112 0 N-CA-C 110.856 -0.897 . . . . 63.25 110.856 175.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.6 t -139.37 135.74 34.01 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.823 0.849 . . . . 73.33 109.833 -173.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 t -164.93 122.2 1.57 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.959 0.903 . . . . 63.41 108.94 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.28 88.43 6.01 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.231 -0.655 . . . . 62.54 109.231 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -125.9 140.14 52.88 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.19 0.996 . . . . 73.1 109.364 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.8 t -101.72 156.64 17.37 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 108.357 -0.979 . . . . 73.01 108.357 168.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -99.42 116.1 30.79 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 109.451 -0.574 . . . . 74.44 109.451 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.44 124.05 1.05 Allowed Glycine 0 C--N 1.339 0.731 0 CA-C-N 115.641 -0.709 . . . . 61.15 111.699 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -157.84 20.6 0.26 Allowed 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.406 0.682 . . . . 52.14 111.416 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.4 m -66.06 -7.56 18.14 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.759 0.824 . . . . 53.52 113.209 -176.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.22 12.07 12.62 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.269 1.028 . . . . 60.5 112.825 177.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -47.1 -73.34 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 125.175 1.39 . . . . 53.21 114.228 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -90.93 170.02 10.41 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.151 0.58 . . . . 74.04 112.217 -168.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.6 142.16 8.94 Favored Glycine 0 C--N 1.343 0.931 0 N-CA-C 110.98 -0.848 . . . . 63.01 110.98 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.77 85.35 0.87 Allowed Glycine 0 C--N 1.346 1.129 0 N-CA-C 111.955 -0.458 . . . . 74.43 111.955 -176.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -85.11 108.1 14.3 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 124.265 1.026 . . . . 74.24 109.722 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -83.47 152.58 13.63 Favored 'Trans proline' 0 C--N 1.377 2.033 0 C-N-CA 123.053 2.502 . . . . 62.03 112.617 -175.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -72.5 138.48 29.77 Favored 'Trans proline' 0 C--N 1.379 2.147 0 C-N-CA 122.77 2.313 . . . . 72.02 112.029 175.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.06 99.08 3.8 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.049 0.54 . . . . 71.12 110.324 177.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 77.0 mt -104.78 163.69 12.32 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.776 0.83 . . . . 74.32 111.014 -175.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 pt -82.71 142.65 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 123.719 0.808 . . . . 51.45 110.468 175.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.9 m -76.93 -26.15 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 122.932 0.493 . . . . 73.34 111.555 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -109.42 99.83 38.74 Favored Pre-proline 0 CA--C 1.558 1.273 0 C-N-CA 123.306 0.642 . . . . 42.15 109.384 175.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.494 ' HG2' HD22 ' A' ' 36' ' ' LEU . 38.5 Cg_endo -65.62 -25.6 54.48 Favored 'Trans proline' 0 C--N 1.382 2.299 0 C-N-CA 123.053 2.502 . . . . 71.41 114.185 -175.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.494 HD22 ' HG2' ' A' ' 35' ' ' PRO . 3.2 mm? -80.88 -13.7 58.69 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.732 0.413 . . . . 75.32 111.925 -177.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 68.9 mtp 55.59 68.11 0.91 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.353 1.061 . . . . 74.5 110.871 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -86.49 106.24 17.35 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.427 -0.806 . . . . 74.03 110.957 -173.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.454 ' HE1' ' HG ' ' A' ' 55' ' ' LEU . 89.5 m-85 -79.17 79.56 5.58 Favored 'General case' 0 C--N 1.348 0.51 0 N-CA-C 108.544 -0.91 . . . . 75.41 108.544 170.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 83.5 mt -104.76 124.15 59.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 108.371 -0.974 . . . . 74.04 108.371 178.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.514 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 47.0 t -71.85 112.12 7.68 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 109.119 -0.697 . . . . 64.32 109.119 175.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -69.57 1.5 4.03 Favored 'General case' 0 CA--C 1.561 1.388 0 N-CA-C 113.45 0.908 . . . . 75.24 113.45 -173.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.403 HG13 ' HE1' ' A' ' 63' ' ' TYR . 75.3 mt -113.08 -29.55 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.926 0.89 . . . . 62.32 110.593 174.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.905 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 56.6 m -95.9 -23.98 16.63 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 112.171 0.434 . . . . 72.14 112.171 -175.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 t30 72.36 -50.76 0.7 Allowed 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 125.625 1.57 . . . . 73.31 111.201 -167.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -75.52 128.3 34.99 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 123.877 0.871 . . . . 53.4 111.321 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.21 40.81 2.45 Favored Glycine 0 C--N 1.349 1.272 0 N-CA-C 111.126 -0.789 . . . . 74.51 111.126 172.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -64.03 -53.05 56.09 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 125.475 1.51 . . . . 73.44 110.651 -174.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.9 t -92.1 73.54 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 CA-C-N 115.185 -0.916 . . . . 74.43 109.463 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -69.79 -31.94 70.14 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.896 0.479 . . . . 75.41 110.911 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -64.29 -35.11 79.78 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.667 0.787 . . . . 61.13 112.421 -177.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -101.27 20.22 16.22 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.118 0.485 . . . . 54.44 110.021 178.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.507 ' SD ' ' HB3' ' A' ' 62' ' ' SER . 45.0 ttm -105.18 138.08 41.94 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.936 0.894 . . . . 74.1 109.078 175.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.42 HD11 ' HD2' ' A' ' 76' ' ' PRO . 93.9 mt -106.91 157.07 18.05 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.143 0.977 . . . . 72.51 110.065 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.454 ' HG ' ' HE1' ' A' ' 39' ' ' TYR . 3.4 tm? -128.78 139.98 51.93 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 107.761 -1.199 . . . . 74.43 107.761 -175.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.504 ' SG ' ' HB3' ' A' ' 82' ' ' CYS . 74.3 m -82.48 125.64 31.33 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.518 0.727 . . . . 54.34 111.932 -176.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -68.91 -31.86 71.07 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.367 0.667 . . . . 72.34 111.121 171.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.31 -75.28 1.28 Allowed Glycine 0 C--N 1.35 1.316 0 CA-C-N 115.707 -0.679 . . . . 51.32 113.127 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.8 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 31.1 p -82.32 -178.84 7.2 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.795 0.838 . . . . 41.15 111.797 -177.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -114.65 102.78 10.35 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.073 0.949 . . . . 73.53 109.964 -178.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -177.5 161.34 1.72 Allowed 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 124.766 1.226 . . . . 73.52 109.429 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.507 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 28.5 m -129.07 143.04 50.73 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 124.015 0.926 . . . . 45.35 109.24 172.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.403 ' HE1' HG13 ' A' ' 43' ' ' ILE . 70.1 m-85 -146.13 139.27 25.84 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.592 0.757 . . . . 71.43 109.988 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.763 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 35.5 m80 -74.81 144.52 43.47 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 108.334 -0.988 . . . . 70.31 108.334 171.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.44 HG21 HG12 ' A' ' 75' ' ' ILE . 43.0 p -59.35 -46.75 87.78 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 124.161 0.913 . . . . 65.01 111.426 177.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -70.83 -24.3 62.51 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.121 -0.945 . . . . 75.52 112.998 -178.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.763 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 17.1 p -97.01 20.79 10.66 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.089 0.471 . . . . 71.31 111.535 -177.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.8 mt -108.84 159.53 16.71 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.116 0.966 . . . . 71.45 109.786 173.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.2 mt -127.37 114.35 21.36 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 123.382 0.673 . . . . 74.11 109.231 173.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -74.86 141.87 73.06 Favored 'Cis proline' 0 C--N 1.382 2.336 0 C-N-CA 124.448 -1.063 . . . . 74.32 112.424 -1.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.56 133.4 29.82 Favored 'Trans proline' 0 C--N 1.382 2.309 0 C-N-CA 122.53 2.154 . . . . 72.0 111.806 -177.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.9 mt -83.13 76.37 9.86 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.485 0.66 . . . . 74.31 109.46 -177.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.7 p -60.09 -35.06 74.36 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.922 -1.036 . . . . 70.22 110.385 175.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.4 m -89.0 104.41 16.95 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 107.834 -1.172 . . . . 71.52 107.834 165.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.44 HG12 HG21 ' A' ' 65' ' ' THR . 51.0 mt -90.12 124.01 64.39 Favored Pre-proline 0 N--CA 1.475 0.795 0 C-N-CA 124.466 1.107 . . . . 61.41 109.999 -175.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.42 ' HD2' HD11 ' A' ' 54' ' ' LEU . 85.8 Cg_endo -91.01 96.17 0.23 Allowed 'Trans proline' 0 C--N 1.374 1.875 0 C-N-CA 122.744 2.296 . . . . 64.54 111.137 169.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -71.27 66.03 0.43 Allowed 'General case' 0 CA--C 1.565 1.522 0 CA-C-O 121.335 0.588 . . . . 74.42 111.956 176.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -158.65 -158.92 9.3 Favored Glycine 0 C--N 1.342 0.911 0 N-CA-C 110.797 -0.921 . . . . 65.31 110.797 165.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -61.01 104.1 0.33 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.438 0.695 . . . . 73.1 110.58 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.426 ' O ' ' HA ' ' A' ' 56' ' ' CYS . 65.3 t90 -106.58 155.56 19.5 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.229 1.012 . . . . 74.44 109.44 -179.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.1 mt -119.21 127.38 53.22 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.579 0.752 . . . . 54.23 109.471 177.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.8 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 16.4 p -83.65 167.51 27.93 Favored Pre-proline 0 N--CA 1.477 0.896 0 C-N-CA 123.026 0.53 . . . . 72.14 110.105 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -42.42 -40.12 6.99 Favored 'Trans proline' 0 C--N 1.378 2.098 0 C-N-CA 122.909 2.406 . . . . 75.44 113.638 168.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.696 HH11 ' HB2' ' A' ' 59' ' ' CYS . 60.5 ttt-85 -62.29 -42.63 99.52 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.255 0.622 . . . . 65.32 111.509 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.783 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 69.8 m -59.18 -45.08 91.98 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.173 0.511 . . . . 71.43 110.659 175.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 43.8 t -67.96 -33.07 59.1 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.161 0 CA-C-N 114.782 -1.099 . . . . 61.53 111.202 -177.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 52.9 t -72.22 -24.85 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 123.228 0.611 . . . . 62.43 111.437 178.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -57.69 123.81 16.95 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.033 0.533 . . . . 72.01 111.109 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 67.33 178.75 0.23 Allowed 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 125.09 1.356 . . . . 71.35 111.176 -173.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.5 p -107.72 118.89 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 N-CA-C 109.103 -0.702 . . . . 75.22 109.103 172.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.4 m -70.52 118.33 13.19 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.402 0.681 . . . . 74.35 109.969 174.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -64.56 149.58 95.16 Favored Pre-proline 0 CA--C 1.555 1.158 0 N-CA-C 109.044 -0.725 . . . . 73.53 109.044 166.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.81 126.48 21.88 Favored 'Trans proline' 0 C--N 1.377 2.072 0 C-N-CA 122.427 2.085 . . . . 64.43 112.438 -177.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 . . . . . 0 CA--C 1.562 1.426 0 C-N-CA 123.562 0.745 . . . . 70.1 110.766 -176.692 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.905 'ZN ' ' HG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . 0.696 'ZN ' ' HG ' ' A' ' 82' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.2 m . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 110.509 -0.182 . . . . 70.14 110.509 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -120.16 160.2 23.36 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.01 0.924 . . . . 70.31 109.131 172.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.3 ptm -76.97 160.2 29.34 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.921 0.489 . . . . 73.41 111.081 179.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.3 t -135.4 94.96 3.18 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.485 0.714 . . . . 60.22 109.086 -175.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.84 61.69 4.7 Favored Glycine 0 C--N 1.348 1.201 0 CA-C-N 116.136 -0.483 . . . . 75.22 112.41 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.03 50.98 1.32 Allowed Glycine 0 C--N 1.349 1.264 0 C-N-CA 123.121 0.391 . . . . 51.05 112.254 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.3 p -139.23 100.67 7.73 Favored Pre-proline 0 CA--C 1.55 0.957 0 N-CA-C 108.801 -0.814 . . . . 75.33 108.801 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -81.82 178.97 6.02 Favored 'Trans proline' 0 C--N 1.372 1.777 0 C-N-CA 123.058 2.506 . . . . 64.34 112.647 -176.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pp -79.28 146.13 33.15 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.296 -0.631 . . . . 73.41 109.296 169.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.45 98.89 3.33 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.875 0.47 . . . . 62.52 110.901 -170.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.4 m -109.17 75.42 0.95 Allowed 'General case' 0 C--O 1.241 0.643 0 N-CA-C 107.545 -1.28 . . . . 75.41 107.545 169.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.6 130.01 20.04 Favored Glycine 0 C--N 1.347 1.171 0 CA-C-N 114.89 -1.05 . . . . 65.45 111.777 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.9 p -66.93 118.86 10.99 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 109.279 -0.637 . . . . 75.1 109.279 177.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.404 HG23 HD22 ' A' ' 16' ' ' ASN . 9.1 t -66.9 124.95 24.42 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 123.547 0.529 . . . . 63.4 109.708 -178.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.9 101.51 1.77 Allowed 'General case' 0 C--O 1.241 0.634 0 N-CA-C 109.238 -0.653 . . . . 53.2 109.238 177.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.404 HD22 HG23 ' A' ' 14' ' ' THR . 8.6 p30 -129.78 136.41 49.59 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.821 0.848 . . . . 74.23 109.809 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.8 t -168.5 169.17 10.6 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 124.968 1.307 . . . . 72.25 108.82 -176.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -150.82 170.19 19.87 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.916 0.389 . . . . 71.21 110.83 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.45 112.32 1.55 Allowed Glycine 0 C--N 1.342 0.891 0 CA-C-N 115.62 -0.718 . . . . 72.32 111.435 -176.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.98 141.77 38.35 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.628 0.771 . . . . 74.21 110.038 -178.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.7 m -139.66 75.71 1.53 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.871 0.869 . . . . 53.44 108.792 178.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -154.17 110.53 3.29 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.904 0.481 . . . . 60.4 110.856 -174.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -139.19 161.96 36.15 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.666 1.187 . . . . 65.23 108.435 167.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -144.28 135.56 25.52 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 108.526 -0.916 . . . . 74.24 108.526 -175.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.31 122.74 6.95 Favored Glycine 0 C--N 1.343 0.957 0 O-C-N 123.728 0.643 . . . . 52.03 113.496 -177.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -89.39 -172.42 45.69 Favored Glycine 0 C--N 1.345 1.035 0 N-CA-C 112.07 -0.412 . . . . 45.44 112.07 174.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -136.23 139.67 30.61 Favored Pre-proline 0 N--CA 1.481 1.098 0 C-N-CA 123.305 0.642 . . . . 74.12 110.799 -177.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -85.88 131.56 3.84 Favored 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 122.68 2.253 . . . . 72.04 112.436 172.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -81.23 105.87 1.67 Allowed 'Trans proline' 0 C--N 1.377 2.059 0 C-N-CA 122.563 2.175 . . . . 62.11 111.711 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.9 99.98 4.67 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.908 -0.405 . . . . 64.01 109.908 177.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.3 mt -112.7 98.83 7.48 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.057 0.943 . . . . 73.1 109.98 -176.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.9 mt 53.59 68.39 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.092 0 C-N-CA 125.094 1.358 . . . . 73.11 110.729 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.9 t -92.92 91.31 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 108.74 -0.837 . . . . 50.21 108.74 177.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 68.12 135.54 0.04 OUTLIER Pre-proline 0 N--CA 1.492 1.651 0 C-N-CA 125.305 1.442 . . . . 74.5 112.008 -175.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.41 -30.26 30.02 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 122.576 2.184 . . . . 73.15 112.256 175.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.1 mt 62.42 16.54 8.71 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.975 1.31 . . . . 70.44 112.019 -177.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 25.6 ttt -100.5 99.26 9.84 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 124.05 0.94 . . . . 65.41 108.816 176.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -159.78 160.95 34.49 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 123.657 0.783 . . . . 75.45 109.872 176.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -118.78 -60.44 1.76 Allowed 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.539 -0.911 . . . . 65.15 108.539 170.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.477 HG23 ' O ' ' A' ' 45' ' ' ASN . 28.3 mt 65.26 136.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 124.836 1.335 . . . . 71.35 110.476 -175.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.853 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 42.7 t -75.9 122.3 23.93 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 109.018 -0.734 . . . . 63.44 109.018 -179.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -58.9 -23.38 61.05 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.336 1.055 . . . . 73.22 112.068 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.527 HD13 ' HB3' ' A' ' 67' ' ' CYS . 3.3 mp -108.09 -51.18 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.383 0.673 . . . . 73.04 110.338 -171.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.709 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 26.2 p -118.63 23.24 11.6 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 111.987 0.366 . . . . 71.1 111.987 -166.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.477 ' O ' HG23 ' A' ' 40' ' ' ILE . 41.3 m-80 75.42 -65.73 0.32 Allowed 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 125.859 1.663 . . . . 72.33 112.971 167.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -59.83 124.52 20.43 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.892 0.877 . . . . 62.11 112.822 -165.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.06 40.33 2.45 Favored Glycine 0 C--N 1.349 1.282 0 N-CA-C 109.033 -1.627 . . . . 71.22 109.033 170.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -97.15 -50.98 4.38 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 125.878 1.671 . . . . 65.42 109.093 -172.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.5 t -85.73 70.52 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 115.061 -0.972 . . . . 71.31 108.72 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -78.64 -20.77 49.55 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.418 -0.81 . . . . 75.42 111.069 -177.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.23 -34.62 78.51 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.27 0.628 . . . . 64.4 111.826 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.8 m -102.05 2.76 38.03 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.278 0.631 . . . . 70.54 110.39 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.426 ' HA ' ' HA ' ' A' ' 64' ' ' HIS . 51.5 ttm -86.57 113.31 22.37 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 123.017 0.527 . . . . 72.33 110.228 177.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 mp -87.19 127.8 35.15 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 107.977 -1.12 . . . . 51.42 107.977 175.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -99.75 125.62 45.68 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 106.695 -1.595 . . . . 61.54 106.695 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.896 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 19.8 t -82.34 119.05 23.65 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.013 0.525 . . . . 72.31 110.945 -173.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.58 -35.23 63.02 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.362 1.065 . . . . 62.22 111.401 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.02 7.64 59.31 Favored Glycine 0 C--N 1.348 1.213 0 N-CA-C 115.112 0.805 . . . . 71.33 115.112 -178.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.875 ' HG ' 'ZN ' ' A' ' 102' ' ' ' ZN' . 22.2 p -159.69 -158.11 0.63 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 108.412 -0.959 . . . . 73.11 108.412 177.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -101.1 -24.91 14.21 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.073 0.949 . . . . 74.41 109.85 177.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.55 158.17 15.68 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.053 0.941 . . . . 74.12 112.837 -165.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.1 t -141.74 123.11 14.87 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.006 0.922 . . . . 72.12 109.42 -175.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.428 ' CE2' HD11 ' A' ' 43' ' ' ILE . 36.5 m-85 -122.72 166.13 15.42 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.044 1.338 . . . . 72.35 109.883 -176.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.728 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 32.5 m80 -99.17 178.24 4.98 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 108.987 -0.746 . . . . 70.13 108.987 164.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.5 p -60.14 -52.59 64.68 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 114.634 -1.166 . . . . 63.41 108.807 161.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -95.28 73.55 3.33 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.25 1.02 . . . . 73.21 109.737 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.853 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 55.5 m -148.88 -13.97 0.32 Allowed 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 115.022 -0.99 . . . . 72.34 111.909 175.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 mp -110.61 179.88 3.95 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.035 0.534 . . . . 61.23 110.376 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . 1.5 pt? -132.78 113.32 13.88 Favored Pre-proline 0 CA--C 1.554 1.113 0 N-CA-C 108.494 -0.928 . . . . 65.21 108.494 173.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 69' ' ' LEU . 91.3 Cg_endo -78.24 142.71 70.59 Favored 'Cis proline' 0 C--N 1.375 1.923 0 C-N-CA 123.464 -1.473 . . . . 71.22 112.909 -2.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.99 127.22 23.49 Favored 'Trans proline' 0 C--N 1.383 2.363 0 C-N-CA 122.682 2.255 . . . . 74.44 111.748 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.82 111.07 2.29 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.626 0.77 . . . . 64.32 110.959 -174.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.2 t -74.5 -23.38 58.84 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.954 -0.566 . . . . 63.45 111.25 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.8 m -128.99 152.26 48.79 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.809 0.844 . . . . 74.12 110.557 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.2 mm -77.95 115.76 53.05 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 123.15 0.58 . . . . 72.14 109.452 172.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -80.16 86.92 1.58 Allowed 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.426 2.084 . . . . 72.25 110.838 175.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 91.1 mttt 73.49 -68.17 0.23 Allowed 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 126.06 1.744 . . . . 51.45 111.206 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 151.96 -45.62 0.61 Allowed Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 107.804 -2.118 . . . . 75.45 107.804 -174.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.45 80.8 1.92 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 121.88 0.848 . . . . 44.12 109.363 169.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 61.4 t90 -106.33 124.96 50.4 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 108.046 -1.094 . . . . 74.14 108.046 177.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.6 mt -94.38 122.17 36.67 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 108.835 -0.802 . . . . 63.42 108.835 176.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.663 ' HG ' 'ZN ' ' A' ' 102' ' ' ' ZN' . 27.4 p -66.51 158.95 76.54 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 123.232 0.613 . . . . 64.2 110.184 170.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.81 -18.57 49.7 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.328 2.019 . . . . 74.41 113.244 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.539 ' HB3' ' SG ' ' A' ' 82' ' ' CYS . 75.4 ttt180 -63.18 -36.16 82.7 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.569 0.748 . . . . 74.42 111.32 174.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.896 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 45.2 m -77.38 -37.41 52.14 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.452 0.701 . . . . 73.22 111.807 -176.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.6 t -83.64 -39.0 14.68 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 CA-C-N 115.322 -0.854 . . . . 62.51 110.43 -174.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -100.02 20.86 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.163 0.585 . . . . 43.13 110.593 -177.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.96 152.93 43.11 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 121.187 -0.946 . . . . 62.24 109.493 171.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -85.46 51.19 2.12 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 112.979 0.733 . . . . 72.35 112.979 -166.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.0 p 42.26 63.67 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 C-N-CA 125.947 1.699 . . . . 75.32 112.362 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 86.2 p -66.4 -18.41 65.34 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 114.658 -1.156 . . . . 60.13 111.287 -177.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -141.95 92.94 7.6 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 124.732 1.213 . . . . 74.22 108.73 176.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.85 89.48 0.53 Allowed 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.377 2.051 . . . . 53.2 110.736 171.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 CA--C 1.549 0.934 0 N-CA-C 108.846 -0.798 . . . . 70.11 108.846 -178.75 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.64 'ZN ' ' SG ' ' A' ' 67' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . 0.875 'ZN ' ' HG ' ' A' ' 59' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 CA--C 1.542 0.636 0 N-CA-C 109.48 -0.563 . . . . 71.15 109.48 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -138.42 136.49 36.31 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.633 0.773 . . . . 74.03 109.18 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -77.94 88.35 4.12 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.195 0.598 . . . . 71.23 109.815 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.8 t -121.72 143.54 49.3 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.346 0.658 . . . . 64.01 109.921 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.65 -64.15 1.27 Allowed Glycine 0 C--N 1.348 1.212 0 N-CA-C 111.66 -0.576 . . . . 74.25 111.66 176.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.17 38.17 91.85 Favored Glycine 0 C--N 1.35 1.349 0 O-C-N 123.981 0.459 . . . . 71.11 113.225 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.8 p -143.15 114.92 5.86 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 123.596 0.759 . . . . 60.1 109.962 -177.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.01 82.0 1.6 Allowed 'Trans proline' 0 C--N 1.379 2.15 0 C-N-CA 122.78 2.32 . . . . 64.31 112.393 177.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.1 mt -83.3 103.1 12.42 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.857 0.863 . . . . 75.2 109.67 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.88 172.07 18.62 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.104 0.562 . . . . 64.31 110.933 -174.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 m -81.57 83.42 7.03 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 108.645 -0.872 . . . . 34.33 108.645 174.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.3 4.91 85.89 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 115.166 -0.925 . . . . 71.21 113.761 -174.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.4 t -87.51 144.81 26.53 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.382 0.673 . . . . 73.24 110.452 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.5 m -150.33 90.8 1.69 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.773 0.829 . . . . 75.13 109.241 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.39 111.81 23.46 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.252 0.621 . . . . 73.43 110.205 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -146.03 86.06 1.7 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.511 0.724 . . . . 72.13 109.627 -176.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.5 p -140.77 107.92 5.48 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.82 0.848 . . . . 70.43 109.113 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -137.35 135.88 37.43 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.172 0.989 . . . . 74.44 110.013 -175.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 144.85 108.04 0.58 Allowed Glycine 0 C--N 1.344 1.017 0 N-CA-C 111.945 -0.462 . . . . 74.41 111.945 175.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.82 85.39 1.23 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.089 0.556 . . . . 61.11 110.392 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.8 m -151.66 99.75 2.63 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.89 0.876 . . . . 64.43 109.8 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -98.28 175.53 6.03 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.527 0.731 . . . . 72.31 110.204 173.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -167.89 -158.43 0.25 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.843 1.257 . . . . 75.24 108.175 174.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? 77.4 97.94 0.07 Allowed 'General case' 0 C--N 1.364 1.203 0 C-N-CA 124.932 1.293 . . . . 73.43 109.31 175.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 163.61 -17.78 0.13 Allowed Glycine 0 C--N 1.341 0.823 0 CA-C-N 115.723 -0.671 . . . . 62.42 112.432 -176.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.25 13.55 32.59 Favored Glycine 0 C--N 1.352 1.437 0 N-CA-C 114.025 0.37 . . . . 53.14 114.025 177.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' O ' ' HD3' ' A' ' 29' ' ' PRO . 10.7 pt-20 -75.79 127.95 84.54 Favored Pre-proline 0 CA--C 1.554 1.108 0 C-N-CA 123.371 0.669 . . . . 64.41 109.458 172.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -98.32 99.57 0.07 OUTLIER 'Trans proline' 0 C--N 1.373 1.849 0 C-N-CA 123.181 2.587 . . . . 74.04 112.732 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 6.3 Cg_exo -78.62 139.12 15.77 Favored 'Trans proline' 0 C--N 1.373 1.862 0 C-N-CA 122.458 2.105 . . . . 75.41 110.972 171.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.25 -20.98 63.03 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 122.987 0.515 . . . . 50.4 112.036 -176.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 pp -89.49 15.3 9.54 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 113.12 0.785 . . . . 51.41 113.12 -176.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.0 pt -70.24 -19.99 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 CA-C-N 118.361 0.528 . . . . 74.25 111.07 173.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.9 t -92.34 111.59 24.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 N-CA-C 106.342 -1.725 . . . . 62.31 106.342 164.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 t70 64.53 87.68 0.12 Allowed Pre-proline 0 N--CA 1.482 1.137 0 C-N-CA 124.542 1.137 . . . . 73.45 109.429 -168.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -89.55 -11.71 3.33 Favored 'Trans proline' 0 C--N 1.369 1.618 0 C-N-CA 122.968 2.445 . . . . 65.12 113.955 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.88 -77.88 0.26 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 109.061 -0.718 . . . . 70.2 109.061 -175.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -171.11 122.9 0.58 Allowed 'General case' 0 C--N 1.357 0.925 0 C-N-CA 123.616 0.767 . . . . 63.44 110.047 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.457 ' HB3' HG13 ' A' ' 40' ' ' ILE . 36.0 tttt -89.46 41.85 1.06 Allowed 'General case' 0 CA--C 1.557 1.225 0 N-CA-C 107.352 -1.351 . . . . 72.54 107.352 167.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 56.43 32.81 21.35 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 115.112 -0.949 . . . . 65.34 110.171 -164.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.457 HG13 ' HB3' ' A' ' 38' ' ' LYS . 59.9 mt -77.42 125.28 37.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 CA-C-N 114.714 -1.13 . . . . 73.51 109.954 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.579 ' H ' ' HA2' ' A' ' 47' ' ' GLY . 52.3 t -54.84 116.24 2.62 Favored 'General case' 0 C--O 1.241 0.629 0 O-C-N 124.416 1.072 . . . . 60.51 110.045 176.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -65.77 -3.54 5.1 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 125.443 1.497 . . . . 74.12 112.58 -172.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.4 mt -113.29 -32.37 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.225 0 C-N-CA 124.114 0.966 . . . . 73.53 110.499 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.813 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 73.8 m -86.15 -23.47 26.55 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 112.925 0.713 . . . . 63.32 112.925 -173.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.5 t30 76.31 -24.24 0.22 Allowed 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 125.007 1.323 . . . . 72.45 112.761 -178.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -100.9 -44.78 5.65 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.568 0.747 . . . . 74.44 110.745 -174.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.579 ' HA2' ' H ' ' A' ' 41' ' ' CYS . . . 95.21 -86.07 0.98 Allowed Glycine 0 C--N 1.345 1.065 0 N-CA-C 110.552 -1.019 . . . . 51.33 110.552 -175.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.1 t70 57.54 -81.96 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 124.707 1.203 . . . . 60.32 113.891 169.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.412 ' O ' ' HB2' ' A' ' 53' ' ' MET . 52.1 t -57.74 94.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.212 0 C-N-CA 124.867 1.267 . . . . 73.1 110.385 -175.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -80.77 -33.05 35.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.263 1.025 . . . . 62.44 111.268 -171.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -72.99 -24.36 60.75 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.282 0.845 . . . . 74.35 113.282 -177.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.1 m -109.04 9.13 26.4 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 118.145 0.429 . . . . 42.11 110.179 175.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 53.6 ttm -78.08 102.05 7.28 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 123.502 0.721 . . . . 75.4 109.271 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.7 mt -85.16 137.75 32.82 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.154 0.982 . . . . 64.42 108.974 176.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -118.14 112.82 20.68 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 106.756 -1.572 . . . . 62.02 106.756 173.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.513 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 49.5 t -60.37 113.29 2.32 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 123.949 0.781 . . . . 71.32 109.959 174.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -80.82 -6.21 58.26 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 121.297 0.57 . . . . 75.13 110.595 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.463 ' O ' ' SG ' ' A' ' 59' ' ' CYS . . . -113.69 30.53 7.14 Favored Glycine 0 C--N 1.346 1.133 0 CA-C-N 115.652 -0.704 . . . . 63.44 113.815 175.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.638 ' SG ' 'ZN ' ' A' ' 102' ' ' ' ZN' . 85.1 m -165.98 -34.14 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.642 0.777 . . . . 75.44 110.565 176.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 63.09 70.68 0.54 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.823 1.249 . . . . 63.34 109.888 -167.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -144.99 139.98 27.86 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 107.547 -1.279 . . . . 43.44 107.547 172.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.8 p -104.74 124.97 50.33 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.86 0.864 . . . . 71.34 110.924 -173.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -129.25 -178.43 4.65 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.534 1.134 . . . . 73.1 109.189 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.691 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 34.5 m170 -115.66 161.28 18.9 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.61 -0.723 . . . . 70.4 109.842 165.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.64 HG21 HG12 ' A' ' 75' ' ' ILE . 19.4 p -63.26 -46.91 84.69 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.734 1.271 . . . . 64.0 110.859 172.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.448 ' HA ' ' HB3' ' A' ' 71' ' ' PRO . 46.3 p90 -79.29 -17.21 55.09 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.985 0.914 . . . . 73.11 112.99 -175.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.813 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 95.6 m -71.17 -38.47 72.16 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.955 0.502 . . . . 52.13 111.051 176.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.9 mt -72.18 146.2 47.54 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 124.077 0.86 . . . . 61.33 110.18 173.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 pp -128.03 129.11 23.72 Favored Pre-proline 0 N--CA 1.481 1.079 0 CA-C-O 119.412 -0.327 . . . . 70.03 110.573 175.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -70.73 137.29 45.3 Favored 'Cis proline' 0 C--N 1.382 2.317 0 CA-C-N 119.94 1.014 . . . . 64.23 112.141 -1.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.448 ' HB3' ' HA ' ' A' ' 66' ' ' PHE . 38.2 Cg_endo -63.77 146.62 92.17 Favored 'Trans proline' 0 C--N 1.376 1.982 0 C-N-CA 123.184 2.589 . . . . 72.02 113.53 -169.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.1 mt -81.59 89.23 6.2 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.19 0.596 . . . . 61.5 109.522 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.0 p -65.88 -20.98 66.42 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.25 0.62 . . . . 74.45 111.588 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.2 m -95.67 112.85 24.48 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 107.728 -1.212 . . . . 71.34 107.728 165.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.64 HG12 HG21 ' A' ' 65' ' ' THR . 35.7 mt -86.88 112.39 46.95 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 123.751 0.82 . . . . 75.13 109.743 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -57.31 138.69 87.4 Favored 'Trans proline' 0 C--N 1.383 2.357 0 C-N-CA 122.663 2.242 . . . . 51.51 111.761 172.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -77.12 86.89 3.59 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 122.895 0.478 . . . . 74.35 109.74 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.36 -75.68 0.81 Allowed Glycine 0 C--N 1.346 1.108 0 CA-C-N 115.28 -0.873 . . . . 32.34 113.28 177.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -63.02 88.33 0.03 OUTLIER 'General case' 0 C--N 1.351 0.636 0 C-N-CA 124.594 1.157 . . . . 75.22 109.874 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.418 ' O ' ' HA ' ' A' ' 56' ' ' CYS . 37.1 t90 -106.61 150.8 25.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.966 -1.016 . . . . 73.21 109.126 174.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.1 mt -113.86 125.71 54.36 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 108.35 -0.981 . . . . 74.3 108.35 171.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 26.3 p -67.06 164.02 39.55 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 124.054 0.942 . . . . 35.24 111.547 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -52.36 -26.44 27.68 Favored 'Trans proline' 0 C--N 1.382 2.318 0 C-N-CA 122.642 2.228 . . . . 74.03 112.503 167.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.584 ' HB2' ' SG ' ' A' ' 82' ' ' CYS . 82.4 mtt-85 -76.43 -19.36 58.16 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.335 1.054 . . . . 74.33 112.26 177.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.604 ' SG ' 'ZN ' ' A' ' 102' ' ' ' ZN' . 80.0 m -85.0 -39.77 17.66 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.058 0.543 . . . . 62.53 110.952 171.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.62 -43.21 83.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 CA-C-N 115.241 -0.89 . . . . 75.33 111.458 -177.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.7 t -106.64 4.52 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 C-N-CA 123.94 0.896 . . . . 73.41 110.663 -176.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 59.29 176.88 0.08 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.653 1.181 . . . . 54.34 112.616 -173.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -79.87 94.03 5.76 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.839 -0.8 . . . . 72.44 108.839 173.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.4 t -82.03 76.4 1.02 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.691 0 N-CA-C 108.486 -0.931 . . . . 64.41 108.486 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.6 m -61.53 143.22 56.34 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.056 -0.975 . . . . 74.03 111.135 -176.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -59.65 109.13 1.71 Allowed Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 123.36 0.664 . . . . 75.13 110.058 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -79.36 72.66 6.4 Favored 'Trans proline' 0 C--N 1.381 2.242 0 C-N-CA 123.022 2.481 . . . . 44.05 111.37 -174.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 . . . . . 0 C--O 1.251 1.153 0 CA-C-N 115.089 -0.96 . . . . 73.04 108.495 -177.66 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.739 'ZN ' ' HG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . 0.638 'ZN ' ' SG ' ' A' ' 59' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.4 m . . . . . 0 N--CA 1.486 1.339 0 N-CA-C 111.346 0.128 . . . . 73.1 111.346 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -75.2 88.94 2.5 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.454 0.701 . . . . 75.25 110.198 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 82.3 mtp -72.04 141.82 49.28 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 109.167 -0.679 . . . . 75.34 109.167 172.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.7 m -65.71 88.63 0.1 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.079 0.552 . . . . 65.11 110.433 178.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.9 6.03 62.04 Favored Glycine 0 C--N 1.346 1.102 0 CA-C-N 115.131 -0.94 . . . . 74.44 113.182 -176.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -77.26 75.1 1.81 Allowed Glycine 0 C--N 1.347 1.181 0 N-CA-C 111.552 -0.619 . . . . 71.12 111.552 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.5 p -66.41 153.75 92.18 Favored Pre-proline 0 CA--C 1.553 1.082 0 C-N-CA 124.638 1.175 . . . . 71.51 111.634 -175.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -57.47 102.74 0.12 Allowed 'Trans proline' 0 C--N 1.383 2.355 0 C-N-CA 122.808 2.339 . . . . 73.4 112.511 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.1 111.97 23.26 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.652 0.781 . . . . 74.54 110.181 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.34 106.09 7.76 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 107.8 -1.185 . . . . 74.34 107.8 167.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.431 HG22 HG22 ' A' ' 13' ' ' THR . 5.2 m -73.43 79.58 1.4 Allowed 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 108.297 -1.001 . . . . 74.03 108.297 176.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.32 38.13 2.89 Favored Glycine 0 C--N 1.349 1.261 0 CA-C-N 115.035 -0.984 . . . . 61.14 112.432 -176.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.431 HG22 HG22 ' A' ' 11' ' ' THR . 5.7 t -70.41 104.65 2.78 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.861 0.839 . . . . 72.32 110.013 -177.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.7 p -130.62 135.19 47.63 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 107.789 -1.189 . . . . 73.14 107.789 172.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.91 22.36 10.3 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.808 0.843 . . . . 74.22 110.362 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -95.77 23.77 5.95 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.726 1.21 . . . . 75.52 110.667 -172.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.479 ' HB ' ' HB3' ' A' ' 20' ' ' ALA . 14.4 p -63.81 92.92 0.08 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.902 0.881 . . . . 72.11 111.339 -175.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -93.7 -44.41 8.17 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.442 1.097 . . . . 72.24 109.657 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.38 -12.81 61.73 Favored Glycine 0 C--N 1.352 1.456 0 CA-C-N 115.484 -0.78 . . . . 53.13 113.76 177.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.479 ' HB3' ' HB ' ' A' ' 17' ' ' THR . . . -83.36 18.32 1.84 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.765 0.826 . . . . 73.21 112.294 178.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.1 m -62.46 102.03 0.29 Allowed 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 108.877 -0.786 . . . . 74.21 108.877 169.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.92 4.67 1.91 Allowed 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 114.359 1.244 . . . . 72.24 114.359 -169.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -67.4 -47.01 71.54 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.781 0.432 . . . . 53.43 109.849 173.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.35 97.2 0.99 Allowed 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.187 -0.915 . . . . 71.35 109.557 175.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.72 171.06 14.0 Favored Glycine 0 C--N 1.34 0.787 0 CA-C-N 115.813 -0.63 . . . . 72.14 111.569 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.13 80.53 1.49 Allowed Glycine 0 C--N 1.337 0.597 0 N-CA-C 111.693 -0.563 . . . . 41.31 111.693 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -57.04 112.12 4.2 Favored Pre-proline 0 CA--C 1.557 1.228 0 C-N-CA 123.793 0.837 . . . . 61.52 111.138 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -85.79 145.2 8.9 Favored 'Trans proline' 0 C--N 1.371 1.743 0 C-N-CA 122.299 1.999 . . . . 61.1 112.987 -174.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -86.32 -157.36 0.08 OUTLIER 'Trans proline' 0 C--N 1.372 1.79 0 C-N-CA 122.843 2.362 . . . . 75.45 110.108 162.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.64 -16.23 13.29 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 122.135 -0.353 . . . . 64.24 110.973 171.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.3 mt 74.86 -37.01 0.34 Allowed 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 126.449 1.9 . . . . 63.3 112.822 -176.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 52.0 mt -69.71 104.61 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 124.025 0.93 . . . . 74.12 110.071 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.8 t 59.79 45.73 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.132 0 C-N-CA 124.981 1.312 . . . . 75.11 110.256 -176.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -105.8 105.83 54.49 Favored Pre-proline 0 N--CA 1.471 0.602 0 N-CA-C 108.083 -1.08 . . . . 74.21 108.083 167.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -66.29 -18.7 55.93 Favored 'Trans proline' 0 C--N 1.376 1.983 0 C-N-CA 123.177 2.585 . . . . 52.44 112.59 177.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.3 mt 68.28 -69.89 0.14 Allowed 'General case' 0 C--N 1.363 1.153 0 C-N-CA 125.299 1.439 . . . . 71.12 109.581 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 25.9 ttt -77.26 79.4 3.78 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 122.034 0.921 . . . . 72.12 109.243 168.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -83.07 -53.88 5.47 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 106.765 -1.568 . . . . 64.33 106.765 170.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -140.35 -64.47 0.47 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 113.426 -1.715 . . . . 74.34 108.202 163.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.3 mt 67.2 115.38 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 125.369 1.468 . . . . 74.34 110.888 -173.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.588 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 30.9 t -79.83 105.95 11.49 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 108.324 -0.991 . . . . 64.2 108.324 178.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -50.83 -47.51 60.12 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 124.931 1.395 . . . . 75.42 113.888 -166.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.457 HG13 ' HE1' ' A' ' 63' ' ' TYR . 60.5 mt -60.44 -45.25 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 112.57 0.582 . . . . 53.44 112.57 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.808 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 30.3 p -101.8 -12.43 18.32 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 112.442 0.534 . . . . 74.42 112.442 -167.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.5 t30 69.67 -3.97 1.53 Allowed 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.778 1.231 . . . . 61.11 112.271 -175.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.527 ' HB2' ' HE1' ' A' ' 64' ' ' HIS . 24.1 mmt-85 -76.52 122.09 24.08 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 121.374 -0.829 . . . . 72.11 109.824 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -118.89 9.08 12.53 Favored Glycine 0 N--CA 1.481 1.678 0 CA-C-O 119.908 -0.384 . . . . 71.33 113.883 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -93.37 -47.44 6.88 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.313 0.645 . . . . 72.34 110.898 -175.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 78.7 t -74.81 85.6 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.489 0.661 . . . . 73.44 110.174 -177.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -77.09 -22.96 51.97 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.824 -0.625 . . . . 64.22 111.049 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -61.55 -37.1 82.58 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.097 0.959 . . . . 63.31 113.398 -177.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.5 p -103.8 7.29 37.06 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-N 118.267 0.485 . . . . 74.11 111.161 176.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 53.4 ttm -85.91 106.65 17.26 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 123.573 0.749 . . . . 75.42 110.276 -174.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.3 mt -86.32 156.72 20.11 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.785 1.234 . . . . 74.42 110.061 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.17 138.5 53.57 Favored 'General case' 0 C--O 1.244 0.773 0 N-CA-C 107.036 -1.468 . . . . 43.13 107.036 175.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 80' ' ' TRP . 52.9 t -71.1 126.48 29.71 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 110.253 -0.277 . . . . 74.02 110.253 177.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.49 ' HB2' ' HB3' ' A' ' 79' ' ' GLU . 12.5 t70 -60.93 -42.72 98.71 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.188 0.995 . . . . 75.51 110.987 177.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -97.32 22.97 37.92 Favored Glycine 0 C--N 1.35 1.331 0 CA-C-N 115.348 -0.842 . . . . 62.1 114.3 -173.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 11.4 p -176.83 -159.7 0.06 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.991 0.916 . . . . 62.54 109.862 175.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -129.46 103.74 7.07 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 123.8 0.84 . . . . 54.51 108.895 177.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -167.37 153.82 8.1 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 123.36 0.664 . . . . 64.52 109.222 169.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.0 p -111.52 126.88 55.44 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.762 0.825 . . . . 63.54 110.994 -178.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.457 ' HE1' HG13 ' A' ' 43' ' ' ILE . 96.9 m-85 -136.99 138.65 40.76 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.464 1.106 . . . . 73.33 109.093 176.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.74 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 39.6 m80 -84.84 168.25 15.28 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 110.195 -0.298 . . . . 63.01 110.195 176.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.3 p -60.36 -52.26 66.01 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.206 1.002 . . . . 72.41 111.326 173.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -72.38 -23.83 61.17 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.047 0.939 . . . . 70.44 113.14 -176.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.74 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 60.0 m -70.32 -17.92 63.08 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.182 0.593 . . . . 61.35 112.182 177.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.5 mt -107.01 161.44 14.73 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.939 0.896 . . . . 71.25 109.674 177.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.516 ' H ' HD23 ' A' ' 69' ' ' LEU . 1.9 pt? -123.45 125.73 26.01 Favored Pre-proline 0 CA--C 1.552 1.043 0 N-CA-C 108.978 -0.749 . . . . 72.43 108.978 173.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -77.24 138.54 53.97 Favored 'Cis proline' 0 C--N 1.378 2.124 0 C-N-CA 124.356 -1.101 . . . . 75.52 112.548 5.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -55.41 101.29 0.08 OUTLIER 'Trans proline' 0 C--N 1.383 2.354 0 C-N-CA 123.006 2.471 . . . . 63.02 110.881 176.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.6 mt -57.35 114.23 2.1 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.621 1.168 . . . . 61.3 110.703 -169.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 m -64.05 -19.32 65.13 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.205 1.002 . . . . 73.13 111.666 -175.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.8 m -149.73 173.72 13.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.715 1.206 . . . . 71.34 109.377 176.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.4 mm -63.7 126.47 89.82 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 123.582 0.753 . . . . 75.44 109.965 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -70.43 83.27 0.83 Allowed 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 122.84 2.36 . . . . 73.22 111.454 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.4 tttt 68.53 -70.57 0.13 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.732 1.613 . . . . 73.22 111.026 -177.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -164.99 -74.76 0.03 OUTLIER Glycine 0 C--N 1.343 0.939 0 N-CA-C 110.223 -1.151 . . . . 73.32 110.223 173.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.49 ' HB3' ' HB2' ' A' ' 57' ' ' ASP . 6.9 mp0 -84.34 130.17 34.82 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.696 0.798 . . . . 72.14 109.024 175.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.47 ' O ' ' HA ' ' A' ' 56' ' ' CYS . 65.2 t90 -103.53 139.59 38.66 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.664 0.786 . . . . 72.32 109.871 -179.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.436 HD23 ' HB3' ' A' ' 57' ' ' ASP . 95.3 mt -94.79 128.61 41.64 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.883 0.873 . . . . 70.31 109.719 175.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 31.4 p -67.51 158.17 83.36 Favored Pre-proline 0 N--CA 1.476 0.867 0 CA-C-O 119.166 -0.445 . . . . 73.03 110.395 174.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -50.68 -31.92 34.13 Favored 'Trans proline' 0 C--N 1.383 2.364 0 C-N-CA 122.961 2.44 . . . . 72.2 114.16 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.509 ' NH2' ' HB ' ' A' ' 87' ' ' VAL . 6.2 tpm_? -74.78 -30.27 61.39 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.416 0.686 . . . . 63.13 111.071 177.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 89.9 m -74.61 -33.51 62.62 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.419 0.688 . . . . 74.41 111.395 175.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.4 t -50.13 -55.85 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.677 0.791 . . . . 62.32 110.592 173.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.509 ' HB ' ' NH2' ' A' ' 84' ' ' ARG . 22.0 t -91.78 74.51 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.766 0 N-CA-C 108.212 -1.033 . . . . 75.54 108.212 169.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -63.55 151.78 40.49 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 113.732 -1.576 . . . . 75.12 110.631 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -79.03 123.52 27.39 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.94 -0.392 . . . . 75.01 109.94 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 13.9 p -105.25 -34.35 3.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 123.845 0.858 . . . . 72.43 110.572 -177.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.7 t -125.74 115.51 20.17 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.396 0.678 . . . . 63.31 110.048 -171.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.0 tttt 72.24 98.48 0.04 OUTLIER Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 125.428 1.491 . . . . 73.13 111.796 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.23 105.33 0.84 Allowed 'Trans proline' 0 C--N 1.372 1.789 0 C-N-CA 122.164 1.909 . . . . 73.22 109.772 161.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 . . . . . 0 CA--C 1.549 0.92 0 C-N-CA 124.329 1.052 . . . . 72.35 110.846 -176.873 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.808 'ZN ' ' HG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 109.549 -0.537 . . . . 72.21 109.549 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -121.47 152.03 39.58 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.589 -0.893 . . . . 64.3 108.589 175.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.4 mtt -114.91 70.98 0.75 Allowed 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 108.659 -0.867 . . . . 74.13 108.659 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.5 t -70.74 94.84 1.06 Allowed 'General case' 0 C--O 1.246 0.892 0 CA-C-N 114.988 -1.006 . . . . 71.22 109.996 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 156.05 -153.9 25.1 Favored Glycine 0 C--N 1.341 0.86 0 CA-C-N 115.052 -0.976 . . . . 51.05 111.318 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.0 3.96 67.46 Favored Glycine 0 C--N 1.343 0.964 0 CA-C-O 119.922 -0.377 . . . . 65.33 112.926 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.8 t -78.23 122.09 84.77 Favored Pre-proline 0 C--N 1.352 0.714 0 C-N-CA 123.481 0.712 . . . . 63.23 109.106 176.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -81.55 56.99 6.18 Favored 'Trans proline' 0 C--N 1.37 1.67 0 C-N-CA 122.461 2.108 . . . . 61.24 111.239 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.536 HD23 ' H ' ' A' ' 9' ' ' LEU . 2.0 pt? -66.55 82.89 0.1 Allowed 'General case' 0 CA--C 1.553 1.092 0 CA-C-O 122.526 1.155 . . . . 71.03 111.928 -172.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.55 82.11 1.59 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 114.864 -1.062 . . . . 30.43 108.368 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -100.56 131.96 46.2 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.391 0.676 . . . . 72.44 109.393 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.48 60.06 0.01 OUTLIER Glycine 0 C--N 1.343 0.958 0 CA-C-N 115.757 -0.656 . . . . 72.02 111.525 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.9 p -71.59 88.06 0.93 Allowed 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.326 0.65 . . . . 62.13 109.764 174.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.3 t -77.73 115.7 17.69 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.705 -0.68 . . . . 71.34 109.916 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -164.3 155.65 15.79 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 123.795 0.838 . . . . 62.54 110.67 -177.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.3 p30 -158.77 149.21 19.83 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.023 0.929 . . . . 55.34 109.985 168.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 t -91.27 125.24 35.98 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 107.852 -1.166 . . . . 62.55 107.852 171.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -150.79 154.15 36.77 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.812 0.445 . . . . 70.45 111.211 -172.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 149.58 162.66 10.55 Favored Glycine 0 C--N 1.336 0.54 0 CA-C-N 115.06 -0.973 . . . . 34.32 110.802 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.15 97.97 1.27 Allowed 'General case' 0 C--O 1.242 0.683 0 C-N-CA 123.202 0.601 . . . . 74.13 109.582 176.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.9 m -79.77 75.13 6.47 Favored 'General case' 0 C--O 1.243 0.755 0 C-N-CA 123.503 0.721 . . . . 73.24 109.809 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.63 117.41 11.2 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 107.725 -1.213 . . . . 72.34 107.725 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -58.21 102.94 0.12 Allowed 'General case' 0 CA--C 1.551 0.995 0 O-C-N 124.112 0.883 . . . . 74.32 110.098 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -67.8 138.73 56.37 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.16 -0.927 . . . . 74.34 109.832 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.86 127.27 0.39 Allowed Glycine 0 CA--C 1.536 1.382 0 O-C-N 123.416 0.448 . . . . 72.12 112.755 -175.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.62 -95.2 0.1 Allowed Glycine 0 C--N 1.337 0.637 0 N-CA-C 110.353 -1.099 . . . . 70.2 110.353 177.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 63.34 120.68 0.02 OUTLIER Pre-proline 0 N--CA 1.492 1.646 0 C-N-CA 125.062 1.345 . . . . 64.14 113.709 169.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -62.44 138.89 73.56 Favored 'Trans proline' 0 C--N 1.381 2.288 0 C-N-CA 123.371 2.714 . . . . 75.03 112.145 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -61.01 107.49 0.46 Allowed 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.97 2.447 . . . . 63.12 112.017 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 64.64 -171.37 0.18 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.387 1.475 . . . . 73.55 111.543 -177.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.577 HD23 ' H ' ' A' ' 31' ' ' LEU . 2.7 pt? -95.26 9.63 39.08 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.415 0.686 . . . . 63.41 111.411 178.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp 61.55 91.96 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.701 1.201 . . . . 64.42 108.349 -167.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.1 m -76.3 -27.09 17.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 115.275 -0.875 . . . . 75.24 111.749 -172.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -161.67 120.68 1.45 Allowed Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 116.115 -0.493 . . . . 71.43 111.318 -172.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -106.66 -3.88 0.13 Allowed 'Trans proline' 0 CA--C 1.564 2.009 0 C-N-CA 123.526 2.817 . . . . 74.31 115.214 166.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.7 mt -119.77 -7.41 10.03 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 113.615 0.969 . . . . 75.12 113.615 -166.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.6 tmm? 69.3 79.51 0.2 Allowed 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.079 1.352 . . . . 64.0 108.95 -170.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -90.9 51.37 1.95 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.685 0.794 . . . . 73.55 109.594 177.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 55.76 71.32 0.56 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.414 1.086 . . . . 75.43 111.117 178.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.5 mt -117.24 149.31 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.541 1.137 . . . . 51.42 109.85 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 53.5 t -62.17 115.68 4.34 Favored 'General case' 0 C--N 1.359 1.022 0 C-N-CA 123.803 0.841 . . . . 60.43 109.508 178.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -65.51 -19.69 66.03 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 124.61 1.194 . . . . 52.43 111.375 -175.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.2 mt -84.45 -38.91 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 C-N-CA 123.868 0.867 . . . . 74.41 109.927 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.795 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 53.8 m -88.1 -31.42 19.23 Favored 'General case' 0 C--O 1.252 1.212 0 N-CA-C 113.14 0.793 . . . . 52.44 113.14 -170.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 76.87 -43.72 0.45 Allowed 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 125.762 1.625 . . . . 75.24 111.266 -174.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -87.14 140.65 29.34 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.938 0.495 . . . . 73.54 109.8 170.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -124.45 45.9 1.14 Allowed Glycine 0 N--CA 1.472 1.052 0 CA-C-N 116.354 -0.385 . . . . 70.33 113.17 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.78 -54.1 40.5 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.355 0.662 . . . . 75.34 110.513 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.4 t -79.3 77.6 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-O 121.916 0.865 . . . . 75.31 109.2 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -75.99 -18.16 59.41 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 114.771 -1.104 . . . . 74.12 110.804 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -58.69 -35.06 72.02 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.106 0.562 . . . . 72.35 112.329 175.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 m -100.04 15.2 28.07 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.28 0.632 . . . . 72.13 111.582 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 41.9 tpp -81.72 111.72 18.23 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 109.266 -0.642 . . . . 75.41 109.266 -177.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 73.6 mt -93.97 130.3 40.13 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.847 -0.798 . . . . 71.35 108.847 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -100.04 119.06 37.7 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.56 -1.274 . . . . 53.51 107.56 177.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.44 ' HB3' ' HB2' ' A' ' 59' ' ' CYS . 43.7 t -70.16 106.56 3.33 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 108.966 -0.753 . . . . 64.41 108.966 174.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -58.43 -31.59 67.89 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.842 1.257 . . . . 74.23 111.086 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.45 32.47 6.21 Favored Glycine 0 C--N 1.347 1.153 0 CA-C-N 115.4 -0.818 . . . . 73.31 113.191 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.44 ' HB2' ' HB3' ' A' ' 56' ' ' CYS . 72.8 m -152.22 -91.67 0.05 Allowed 'General case' 0 CA--C 1.562 1.417 0 C-N-CA 123.933 0.893 . . . . 74.21 110.876 174.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.0 t70 143.27 -26.99 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 126.55 1.94 . . . . 75.22 108.585 -157.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.86 158.8 33.83 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.667 0.787 . . . . 71.25 110.663 -178.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.2 m -130.33 142.18 50.55 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.748 0.819 . . . . 71.03 110.379 -177.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -144.11 139.15 28.7 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.769 1.228 . . . . 74.53 108.788 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.637 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 45.2 m170 -72.55 146.65 46.59 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 118.261 0.482 . . . . 71.4 110.102 172.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 17.9 p -50.52 -55.64 15.17 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 124.339 1.024 . . . . 73.33 111.225 172.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -78.24 -12.9 60.03 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.586 -1.188 . . . . 62.15 113.767 -171.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.795 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 65.9 m -90.32 -21.77 21.87 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.096 0.558 . . . . 73.24 111.624 -177.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.7 mt -73.92 161.85 29.69 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.514 0.726 . . . . 74.13 110.076 174.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.1 mt -121.83 123.44 27.41 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 108.923 -0.769 . . . . 64.0 108.923 173.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -73.89 138.97 58.87 Favored 'Cis proline' 0 C--N 1.389 2.669 0 CA-C-N 119.882 0.994 . . . . 71.12 111.767 -5.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.96 134.84 64.95 Favored 'Trans proline' 0 C--N 1.38 2.187 0 C-N-CA 122.943 2.429 . . . . 73.45 112.315 -178.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.4 ' O ' ' HB ' ' A' ' 65' ' ' THR . 53.5 mt -86.58 117.63 25.47 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 107.828 -1.175 . . . . 50.04 107.828 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 m -72.33 -16.64 61.88 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 123.286 0.635 . . . . 70.01 111.542 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 56.4 p -138.26 148.08 44.33 Favored 'General case' 0 C--O 1.244 0.79 0 C-N-CA 124.16 0.984 . . . . 54.43 110.171 -173.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.625 HG22 ' H ' ' A' ' 77' ' ' LYS . 70.6 mt -91.58 129.36 43.02 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 124.587 1.155 . . . . 73.41 109.079 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.46 -5.91 16.3 Favored 'Trans proline' 0 C--N 1.384 2.436 0 C-N-CA 123.085 2.523 . . . . 63.33 113.956 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.625 ' H ' HG22 ' A' ' 75' ' ' ILE . 97.1 mttt 53.9 13.66 0.57 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 125.916 1.686 . . . . 65.52 115.123 178.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.34 -125.76 0.8 Allowed Glycine 0 C--N 1.342 0.907 0 CA-C-O 119.187 -0.785 . . . . 73.34 111.24 -178.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -63.79 101.52 0.37 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.663 0.785 . . . . 64.45 111.319 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -112.32 143.03 44.1 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 107.834 -1.173 . . . . 75.12 107.834 169.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.9 mt -118.34 134.56 54.94 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.813 -0.81 . . . . 64.03 108.813 177.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 84' ' ' ARG . 28.1 p -67.23 157.07 86.51 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 123.51 0.724 . . . . 63.21 110.64 175.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.42 ' O ' HG23 ' A' ' 87' ' ' VAL . 81.8 Cg_exo -50.21 -32.7 33.41 Favored 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 122.649 2.233 . . . . 72.14 113.171 172.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.433 ' HB3' ' SG ' ' A' ' 82' ' ' CYS . 57.2 ttm-85 -62.21 -37.49 85.52 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.996 0.918 . . . . 74.02 111.521 177.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 78.5 m -64.53 -32.21 73.76 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 120.99 0.424 . . . . 73.43 111.686 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.6 t -76.66 -37.03 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 CA-C-N 115.341 -0.845 . . . . 74.32 110.613 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 83' ' ' PRO . 86.9 t -63.74 -51.3 71.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 123.454 0.701 . . . . 64.31 111.118 177.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.93 -14.84 62.91 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 116.044 -0.525 . . . . 72.2 111.319 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 77.99 143.43 0.08 Allowed 'General case' 0 C--N 1.361 1.1 0 C-N-CA 125.933 1.693 . . . . 70.51 110.833 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 44.7 t -78.73 121.48 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 108.337 -0.986 . . . . 74.11 108.337 173.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.1 t -62.72 117.2 5.97 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 123.705 0.628 . . . . 73.41 111.213 -174.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.26 155.05 42.96 Favored Pre-proline 0 N--CA 1.475 0.786 0 C-N-CA 124.059 0.944 . . . . 53.32 109.816 178.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.05 155.4 69.78 Favored 'Trans proline' 0 C--N 1.369 1.623 0 C-N-CA 121.894 1.73 . . . . 53.1 111.774 169.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.583 -0.735 . . . . 62.32 109.184 176.361 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.704 'ZN ' ' HG ' ' A' ' 67' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 110.074 -0.343 . . . . 71.0 110.074 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -76.62 87.27 3.29 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.12 0.568 . . . . 74.15 110.216 176.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 46.3 ttp -94.85 10.58 34.76 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 124.021 0.928 . . . . 75.13 110.023 174.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.3 m -70.91 86.11 0.7 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.111 0.964 . . . . 51.21 110.808 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 168.19 -149.18 13.7 Favored Glycine 0 N--CA 1.465 0.571 0 N-CA-C 110.993 -0.843 . . . . 54.11 110.993 -176.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.19 32.35 83.83 Favored Glycine 0 C--N 1.35 1.336 0 C-N-CA 122.906 0.288 . . . . 51.41 112.753 -177.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.9 p -104.64 96.08 9.8 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 123.993 0.917 . . . . 73.43 109.259 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -73.15 87.56 1.03 Allowed 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 123.136 2.557 . . . . 62.32 112.699 -173.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 pp -96.16 126.45 41.39 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.352 0.661 . . . . 63.43 109.378 174.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.17 159.72 7.56 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.659 0.784 . . . . 63.12 109.973 177.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 t -164.08 167.08 20.72 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.816 0.846 . . . . 65.41 109.891 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.51 135.24 8.75 Favored Glycine 0 C--N 1.342 0.91 0 N-CA-C 111.941 -0.464 . . . . 74.42 111.941 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 t -135.3 158.77 43.51 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.785 0.834 . . . . 70.24 110.274 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.6 m -134.54 76.98 1.67 Allowed 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 107.51 -1.293 . . . . 75.52 107.51 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -152.06 85.43 1.28 Allowed 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.965 -0.561 . . . . 72.13 110.868 -175.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -157.24 12.04 0.22 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.878 0.871 . . . . 72.45 110.751 174.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.4 m -79.12 117.52 20.24 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.718 0.807 . . . . 74.3 110.114 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -161.15 155.02 22.32 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.217 1.007 . . . . 72.15 109.854 -175.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.46 119.13 3.11 Favored Glycine 0 N--CA 1.475 1.241 0 CA-C-O 119.75 -0.472 . . . . 41.51 112.954 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.1 101.81 1.26 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.097 0.959 . . . . 62.11 109.482 176.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.8 t -156.23 114.55 3.36 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.044 0.538 . . . . 63.23 110.594 -177.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -163.0 92.36 0.76 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.129 0.972 . . . . 64.21 108.736 167.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -144.57 148.14 34.04 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.231 1.012 . . . . 72.4 109.463 173.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? -165.65 -171.24 2.03 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.641 1.176 . . . . 72.12 109.738 173.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.08 107.46 0.86 Allowed Glycine 0 C--N 1.348 1.202 0 N-CA-C 111.726 -0.55 . . . . 53.11 111.726 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.5 68.13 0.04 OUTLIER Glycine 0 C--N 1.339 0.744 0 N-CA-C 111.295 -0.722 . . . . 51.11 111.295 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -103.58 96.06 8.23 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 123.852 0.861 . . . . 72.04 108.888 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -83.16 145.01 12.06 Favored 'Trans proline' 0 C--N 1.371 1.715 0 C-N-CA 122.325 2.017 . . . . 75.01 112.287 -176.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.55 89.45 0.1 OUTLIER 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.204 1.936 . . . . 73.31 109.828 163.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.15 79.19 3.68 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.936 0.894 . . . . 64.1 111.455 -168.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.4 mt 58.57 100.53 0.02 OUTLIER 'General case' 0 C--N 1.363 1.153 0 C-N-CA 125.548 1.539 . . . . 75.31 111.261 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mp -74.66 81.86 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 N-CA-C 108.235 -1.024 . . . . 53.32 108.235 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.6 m -119.86 12.19 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.161 1.384 . . . . 71.25 108.903 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -137.46 40.88 0.49 Allowed Pre-proline 0 CA--C 1.567 1.632 0 C-N-CA 124.413 1.085 . . . . 63.04 111.734 -176.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -73.76 -13.93 24.36 Favored 'Trans proline' 0 C--N 1.396 3.027 0 C-N-CA 122.022 1.815 . . . . 70.03 113.533 -171.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tt -137.13 73.68 1.45 Allowed 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 107.842 -1.169 . . . . 73.05 107.842 177.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.2 ptp -176.85 -175.02 0.58 Allowed 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.788 1.235 . . . . 72.43 108.819 174.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp 56.55 67.98 0.92 Allowed 'General case' 0 C--N 1.361 1.075 0 N-CA-C 108.264 -1.013 . . . . 65.42 108.264 -174.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -57.88 99.89 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 114.196 -1.365 . . . . 74.54 112.818 -164.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.7 mt -73.11 131.69 34.51 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 CA-C-N 114.677 -1.147 . . . . 55.41 109.227 177.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.461 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 48.1 t -71.72 131.25 42.86 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 108.909 -0.774 . . . . 72.33 108.909 175.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -75.83 -9.21 58.41 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 122.676 0.39 . . . . 55.44 111.472 -175.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.8 mt -113.6 -44.59 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 123.668 0.787 . . . . 60.3 110.143 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 34.0 m -96.37 -27.43 14.94 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.431 0.692 . . . . 60.13 112.493 -171.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 75.55 -54.67 0.63 Allowed 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 125.547 1.539 . . . . 72.12 111.648 -169.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -90.84 116.9 29.03 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.149 0.58 . . . . 72.24 109.974 -172.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.81 72.7 1.41 Allowed Glycine 0 C--N 1.34 0.754 0 CA-C-N 116.032 -0.531 . . . . 72.13 112.315 177.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.89 -59.43 4.19 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.513 0.725 . . . . 73.14 109.319 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.4 t -88.02 84.1 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 115.021 -0.991 . . . . 73.01 108.563 172.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.29 -18.22 63.11 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 115.608 -0.723 . . . . 74.51 110.235 176.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -61.84 -36.39 81.03 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.093 0.957 . . . . 75.42 110.97 178.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.0 m -96.39 1.39 51.7 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.277 0.631 . . . . 73.11 110.888 -177.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 47.0 ttm -79.63 106.58 11.76 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 121.008 0.433 . . . . 70.11 110.008 -177.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.577 ' HB3' ' HB3' ' A' ' 80' ' ' TRP . 23.3 mt -86.22 135.77 33.44 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 125.226 1.41 . . . . 71.41 109.439 175.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -102.58 123.69 46.77 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.309 0.644 . . . . 74.55 110.393 -177.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 42.2 t -76.64 107.08 8.68 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 123.743 0.652 . . . . 73.12 109.74 175.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -54.61 -44.8 73.42 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.232 1.013 . . . . 74.52 111.118 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.22 42.91 1.82 Allowed Glycine 0 C--N 1.342 0.907 0 CA-C-N 115.577 -0.738 . . . . 64.23 113.455 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.828 ' HG ' 'ZN ' ' A' ' 102' ' ' ' ZN' . 87.4 m -157.18 -169.87 3.08 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.68 1.192 . . . . 63.11 108.628 169.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -108.67 4.41 23.83 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.396 1.078 . . . . 74.41 109.363 174.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.41 150.35 21.12 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 124.262 1.025 . . . . 75.41 111.246 -163.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.0 m -128.05 133.6 49.1 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.139 0.975 . . . . 74.33 108.718 173.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.428 ' HB2' ' HZ3' ' A' ' 80' ' ' TRP . 44.1 m-85 -127.26 151.71 48.37 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 107.847 -1.168 . . . . 73.45 107.847 178.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.506 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 43.1 m80 -89.69 161.93 15.84 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 107.879 -1.156 . . . . 72.15 107.879 170.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.603 HG21 HG12 ' A' ' 75' ' ' ILE . 42.2 p -59.56 -34.53 72.79 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 121.456 0.646 . . . . 63.42 110.066 175.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -105.24 30.82 5.32 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.02 0.928 . . . . 75.23 111.782 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 49.1 m -96.0 -4.86 42.41 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.257 0.623 . . . . 73.04 110.816 170.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.8 mt -111.13 162.24 15.12 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.211 0.604 . . . . 72.52 110.808 -170.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.8 mt -130.1 111.25 16.94 Favored Pre-proline 0 CA--C 1.558 1.278 0 C-N-CA 124.094 0.958 . . . . 72.32 109.468 176.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.61 147.19 88.76 Favored 'Cis proline' 0 C--N 1.375 1.946 0 CA-C-N 120.068 1.06 . . . . 51.21 111.701 -5.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.31 152.83 61.52 Favored 'Trans proline' 0 C--N 1.369 1.638 0 C-N-CA 122.969 2.446 . . . . 61.52 112.79 -173.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.439 ' O ' ' HB ' ' A' ' 65' ' ' THR . 51.2 mt -73.81 87.12 1.73 Allowed 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 108.612 -0.884 . . . . 71.25 108.612 172.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.4 p -65.76 -23.98 66.85 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.914 0.886 . . . . 72.15 110.98 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.2 m -104.79 132.48 50.98 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 124.009 0.924 . . . . 72.22 108.671 167.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.603 HG12 HG21 ' A' ' 65' ' ' THR . 55.9 mt -72.56 127.18 90.31 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 123.296 0.638 . . . . 74.34 109.376 174.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -66.4 -166.13 0.1 Allowed 'Trans proline' 0 C--N 1.374 1.9 0 C-N-CA 123.13 2.553 . . . . 71.41 113.753 177.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -82.16 79.74 8.57 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.58 0.752 . . . . 71.34 110.825 -171.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.36 -108.16 2.32 Favored Glycine 0 C--N 1.35 1.311 0 N-CA-C 111.871 -0.492 . . . . 51.13 111.871 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -76.71 156.68 32.32 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.296 0.638 . . . . 73.24 109.311 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.577 ' HB3' ' HB3' ' A' ' 54' ' ' LEU . 43.8 t90 -149.23 131.61 15.63 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.362 0.665 . . . . 73.31 110.02 -170.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.9 mt -76.19 133.51 40.15 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.322 0.649 . . . . 55.43 110.097 176.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 26.8 p -55.71 151.04 23.89 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 123.745 0.818 . . . . 72.33 110.611 174.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.471 ' O ' HG23 ' A' ' 87' ' ' VAL . 31.2 Cg_exo -58.75 -27.29 83.14 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.761 2.308 . . . . 73.11 112.213 -176.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -62.99 -38.34 90.78 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.978 1.311 . . . . 75.45 111.257 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 78.0 m -68.14 -35.05 77.46 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 123.257 0.623 . . . . 70.53 110.902 174.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.4 t -74.94 -34.65 33.32 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 C-N-CA 123.414 0.685 . . . . 75.54 111.047 -175.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 83' ' ' PRO . 99.1 t -62.31 -37.81 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 C-N-CA 123.625 0.77 . . . . 62.22 110.145 175.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -84.57 146.56 27.47 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.32 -0.855 . . . . 70.45 110.976 177.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -73.23 172.96 10.16 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.375 0.67 . . . . 74.34 111.162 174.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 39.3 t 54.99 75.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.904 0 C-N-CA 124.81 1.244 . . . . 62.33 108.984 -168.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.8 t -154.6 176.72 12.06 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.557 -0.747 . . . . 72.43 110.081 -174.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -118.14 90.86 38.81 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 123.938 0.895 . . . . 72.33 109.138 176.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -92.68 -161.69 0.09 OUTLIER 'Trans proline' 0 C--N 1.37 1.68 0 C-N-CA 123.277 2.651 . . . . 71.02 111.149 170.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 123.383 0.673 . . . . 65.45 109.412 178.636 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . 0.828 'ZN ' ' HG ' ' A' ' 59' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.2 m . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 110.377 -0.231 . . . . 62.35 110.377 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -64.53 113.31 3.61 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 123.222 0.609 . . . . 72.32 110.195 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 67.2 mtm -90.38 168.19 12.06 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.592 0.757 . . . . 61.53 109.783 173.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.0 m -73.5 72.31 1.37 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.777 0.831 . . . . 70.43 110.607 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.31 -82.54 0.19 Allowed Glycine 0 C--N 1.345 1.038 0 CA-C-N 116.083 -0.508 . . . . 73.32 113.22 -175.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.5 -136.87 12.93 Favored Glycine 0 C--N 1.34 0.8 0 N-CA-C 111.011 -0.835 . . . . 54.4 111.011 -173.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.9 p -169.95 144.56 2.27 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 123.417 0.687 . . . . 75.23 110.006 176.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.72 -156.16 0.05 OUTLIER 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.922 2.414 . . . . 65.23 112.644 175.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 pp -143.0 179.31 7.11 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.201 0.6 . . . . 65.52 110.605 177.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.66 116.81 10.01 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 108.676 -0.861 . . . . 64.01 108.676 177.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.1 p -88.78 -33.68 17.37 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.102 0.561 . . . . 63.35 110.541 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.82 57.98 4.83 Favored Glycine 0 C--N 1.348 1.242 0 CA-C-N 115.663 -0.699 . . . . 64.42 112.901 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.0 t -151.95 111.41 3.94 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 123.903 0.881 . . . . 64.12 109.147 175.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.5 t -127.81 151.95 48.39 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.761 0.825 . . . . 62.52 109.876 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.19 87.25 3.04 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.532 0.733 . . . . 72.23 111.276 -173.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -124.88 128.41 48.62 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.103 -0.953 . . . . 74.45 108.583 170.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t -159.6 158.44 31.64 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.287 0.635 . . . . 70.42 110.037 -177.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -128.63 96.46 4.4 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.513 0.725 . . . . 74.13 109.63 176.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -127.25 61.76 0.64 Allowed Glycine 0 C--N 1.344 1.02 0 CA-C-N 115.756 -0.656 . . . . 74.21 111.518 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.81 136.63 51.02 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.28 0.632 . . . . 75.2 110.965 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 87.8 p -123.18 162.11 23.17 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.396 0.679 . . . . 43.52 110.665 -177.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -127.18 91.39 3.31 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.591 0.757 . . . . 75.44 109.488 176.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -93.88 126.27 38.98 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 109.119 -0.697 . . . . 63.45 109.119 174.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -100.82 146.09 27.73 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.957 0.503 . . . . 62.43 110.004 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.01 -73.87 0.71 Allowed Glycine 0 C--N 1.347 1.14 0 O-C-N 124.071 0.857 . . . . 62.55 112.117 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 60.08 49.01 83.23 Favored Glycine 0 C--N 1.354 1.549 0 N-CA-C 111.756 -0.538 . . . . 73.3 111.756 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -104.31 103.69 40.3 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 124.332 1.053 . . . . 63.52 111.197 -169.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -78.29 127.14 8.11 Favored 'Trans proline' 0 C--N 1.369 1.648 0 C-N-CA 122.168 1.912 . . . . 41.41 109.931 162.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -60.11 164.72 11.85 Favored 'Trans proline' 0 C--N 1.372 1.794 0 C-N-CA 122.567 2.178 . . . . 63.23 113.015 174.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.45 172.12 1.26 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.466 0.707 . . . . 74.41 112.386 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.7 mt -71.9 -165.32 0.16 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.188 0.595 . . . . 74.35 111.367 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.1 mt 66.88 29.4 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 CA-C-O 122.58 1.181 . . . . 74.23 108.92 -172.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.8 m -92.07 61.47 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 115.089 -0.96 . . . . 74.41 109.274 176.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -126.62 86.13 59.12 Favored Pre-proline 0 CA--C 1.548 0.882 0 CA-C-N 115.037 -0.983 . . . . 63.02 110.046 -173.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -85.73 -25.21 1.61 Allowed 'Trans proline' 0 C--N 1.368 1.592 0 C-N-CA 122.529 2.153 . . . . 62.43 112.717 175.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.4 tp -93.09 -13.13 28.94 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.977 0.911 . . . . 71.14 111.04 -174.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.3 tpt -78.59 0.35 26.67 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 123.218 0.607 . . . . 74.32 111.281 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -63.98 130.99 46.25 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.746 -0.596 . . . . 73.22 109.61 172.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -58.82 104.83 0.26 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.805 0.842 . . . . 62.4 113.042 -167.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.9 mm -93.15 148.43 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.672 1.189 . . . . 74.31 109.693 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 23.1 t -73.65 109.22 6.99 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 107.854 -1.165 . . . . 73.23 107.854 169.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -54.26 -49.31 69.84 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 124.528 1.142 . . . . 63.42 111.369 -170.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 62.0 mt -58.27 -34.54 50.29 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.426 0 C-N-CA 124.479 1.112 . . . . 74.1 112.563 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 94.8 m -85.42 -33.21 21.98 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-O 119.115 -0.469 . . . . 65.12 111.783 -177.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.5 t30 65.32 14.51 9.47 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 124.784 1.302 . . . . 61.02 110.456 -166.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -130.11 146.64 51.78 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 125.272 1.429 . . . . 71.41 109.806 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -118.39 30.33 6.04 Favored Glycine 0 N--CA 1.467 0.75 0 CA-C-N 115.755 -0.657 . . . . 63.23 111.494 171.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.2 -55.14 20.24 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.069 0.948 . . . . 73.33 110.3 -174.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.6 t -97.34 65.55 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 CA-C-O 121.836 0.827 . . . . 71.13 108.896 176.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 53' ' ' MET . 8.8 pt-20 -71.07 -19.36 62.49 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 115.478 -0.783 . . . . 51.22 112.11 -177.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.88 -28.9 70.35 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 120.992 0.425 . . . . 74.32 111.09 175.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.3 t -105.02 17.24 24.47 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.524 -0.762 . . . . 71.33 111.837 -174.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.594 ' HA ' ' HA ' ' A' ' 64' ' ' HIS . 16.5 ptp -98.2 133.14 43.04 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 121.129 0.49 . . . . 61.41 109.714 170.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.5 mp -105.68 139.0 40.93 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 107.296 -1.372 . . . . 52.13 107.296 172.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 45.6 tp -101.18 121.15 41.33 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 108.345 -0.983 . . . . 71.41 108.345 -178.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 43.4 t -63.05 115.76 4.72 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 123.618 0.767 . . . . 63.31 111.083 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.94 -27.42 65.72 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.517 0.727 . . . . 64.2 110.374 175.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.11 2.0 77.72 Favored Glycine 0 CA--C 1.54 1.594 0 N-CA-C 114.962 0.745 . . . . 41.53 114.962 178.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 27.6 p -160.04 -155.31 0.43 Allowed 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.976 0.91 . . . . 63.45 109.732 176.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -108.04 -14.37 14.75 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.65 0.78 . . . . 71.45 111.516 -177.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -87.88 145.56 26.0 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 112.687 0.625 . . . . 71.14 112.687 -163.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.8 t -102.12 132.63 47.89 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.422 1.089 . . . . 72.41 109.963 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -132.42 132.44 42.79 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.803 0.841 . . . . 74.14 109.368 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.781 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 30.9 m170 -67.71 161.35 26.14 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 117.922 0.328 . . . . 73.24 110.597 170.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.6 p -52.5 -56.77 12.85 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 124.558 1.161 . . . . 64.54 110.799 169.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.539 ' HA ' ' HB3' ' A' ' 71' ' ' PRO . 32.0 p90 -77.2 -10.66 59.55 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 114.228 -1.351 . . . . 72.24 113.485 -172.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 92.4 m -78.67 -16.4 57.34 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.235 0.614 . . . . 72.43 112.514 178.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 70.3 mt -104.77 159.17 16.0 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.443 0.697 . . . . 71.3 111.103 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mp -113.75 114.82 46.76 Favored Pre-proline 0 CA--C 1.548 0.898 0 N-CA-C 107.915 -1.143 . . . . 73.52 107.915 172.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -80.0 147.94 77.83 Favored 'Cis proline' 0 C--N 1.378 2.103 0 CA-C-N 120.213 1.112 . . . . 64.11 112.845 0.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.539 ' HB3' ' HA ' ' A' ' 66' ' ' PHE . 54.2 Cg_exo -56.49 122.4 11.73 Favored 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 122.471 2.114 . . . . 63.23 111.446 174.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.1 mt -75.43 81.6 2.49 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.265 0.626 . . . . 54.02 109.934 -172.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.3 m -64.32 -28.84 69.99 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-O 121.704 0.764 . . . . 64.31 110.458 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.7 p -115.16 141.25 48.27 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 124.573 1.149 . . . . 73.1 108.727 169.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.2 mt -73.52 114.77 34.99 Favored Pre-proline 0 CA--C 1.55 0.95 0 N-CA-C 108.17 -1.048 . . . . 73.31 108.17 171.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.04 101.01 0.32 Allowed 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.424 2.083 . . . . 72.43 111.996 -177.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.4 tptt 69.48 -73.7 0.09 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.824 1.65 . . . . 74.32 110.625 177.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -170.37 -77.93 0.04 OUTLIER Glycine 0 C--O 1.242 0.644 0 N-CA-C 109.771 -1.332 . . . . 53.41 109.771 173.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -64.12 144.47 57.09 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.945 0.898 . . . . 72.11 109.506 170.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -138.74 143.75 39.17 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.591 0.71 . . . . 63.32 111.478 -171.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.4 mt -114.87 132.39 56.53 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 125.227 1.411 . . . . 75.12 108.09 173.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 31.6 p -68.35 139.76 92.32 Favored Pre-proline 0 N--CA 1.471 0.623 0 CA-C-O 118.628 -0.701 . . . . 62.14 109.819 176.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.411 ' O ' HG23 ' A' ' 87' ' ' VAL . 70.3 Cg_exo -45.06 -31.09 5.3 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 124.081 3.187 . . . . 70.2 114.075 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -62.99 -48.49 78.61 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.266 1.027 . . . . 74.34 111.194 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 62.1 m -71.77 -27.32 62.88 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.696 0.798 . . . . 52.21 111.473 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.4 t -70.05 -22.96 24.82 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 C-N-CA 123.847 0.859 . . . . 34.22 111.073 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 83' ' ' PRO . 93.4 t -64.68 -38.45 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 122.956 0.502 . . . . 33.51 111.956 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -59.23 135.77 57.75 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 123.796 0.685 . . . . 75.44 112.252 -176.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.1 101.99 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 125.605 1.562 . . . . 72.03 111.455 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 61.5 t -69.63 -63.91 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 C-N-CA 122.716 0.407 . . . . 70.34 110.92 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.5 p -171.55 137.32 1.04 Allowed 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 112.214 0.45 . . . . 52.23 112.214 -174.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -132.2 134.62 25.26 Favored Pre-proline 0 N--CA 1.489 1.477 0 C-N-CA 124.717 1.207 . . . . 72.54 108.607 172.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.4 104.22 0.5 Allowed 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.549 2.166 . . . . 62.45 111.448 174.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 . . . . . 0 C--O 1.252 1.233 0 C-N-CA 123.423 0.689 . . . . 54.42 109.968 -167.507 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.846 'ZN ' ' HG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 110.586 -0.153 . . . . 65.25 110.586 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 48.6 p-80 -94.29 130.73 40.45 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 109.23 -0.655 . . . . 75.12 109.23 175.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 47.9 ttp -79.15 75.1 5.7 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.228 0.611 . . . . 75.55 109.563 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.0 m 62.27 119.23 0.02 OUTLIER 'General case' 0 C--N 1.361 1.071 0 C-N-CA 125.002 1.321 . . . . 74.05 111.723 -175.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.92 -30.24 77.46 Favored Glycine 0 C--N 1.346 1.132 0 CA-C-N 116.637 -0.256 . . . . 33.43 113.605 -177.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -167.53 70.02 0.17 Allowed Glycine 0 C--N 1.341 0.815 0 N-CA-C 110.649 -0.98 . . . . 74.32 110.649 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.7 t -56.1 116.31 12.13 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 124.396 1.078 . . . . 61.3 110.46 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.12 115.92 2.91 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.716 2.277 . . . . 62.34 113.482 -174.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.496 HD22 ' HB ' ' A' ' 11' ' ' THR . 2.3 tt -70.56 118.03 12.84 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.096 0.958 . . . . 65.2 108.499 177.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.46 90.87 3.29 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 109.01 -0.737 . . . . 65.24 109.01 176.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.496 ' HB ' HD22 ' A' ' 9' ' ' LEU . 7.0 t -120.31 121.9 39.65 Favored 'General case' 0 CA--C 1.548 0.865 0 CA-C-N 115.369 -0.832 . . . . 71.52 109.874 -175.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.76 111.58 0.49 Allowed Glycine 0 C--N 1.339 0.719 0 N-CA-C 110.88 -0.888 . . . . 60.01 110.88 -178.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.4 t -115.84 153.39 31.57 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.636 0.774 . . . . 71.42 110.595 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.2 p -125.86 148.19 49.24 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 124.279 1.032 . . . . 70.02 109.136 175.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.68 -70.73 0.54 Allowed 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 109.41 -0.589 . . . . 74.42 109.41 172.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 49.45 73.86 0.22 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.908 1.283 . . . . 75.0 111.427 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.2 t -160.71 163.61 32.26 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 122.863 0.465 . . . . 71.34 110.876 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 66.6 11.36 8.08 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.978 1.311 . . . . 71.24 111.875 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.17 56.32 4.78 Favored Glycine 0 C--N 1.346 1.104 0 C-N-CA 122.884 0.278 . . . . 63.24 112.731 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -160.18 128.95 4.9 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.173 0.989 . . . . 74.12 108.939 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.5 t -163.38 -82.23 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 108.725 -0.843 . . . . 73.52 108.725 175.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 62.79 117.48 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 124.908 1.283 . . . . 72.24 112.577 177.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -64.86 119.65 11.06 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.075 0.95 . . . . 74.41 112.245 -177.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -93.04 103.27 15.59 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.145 -0.687 . . . . 74.24 109.145 169.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.7 150.88 35.09 Favored Glycine 0 C--N 1.344 1.006 0 N-CA-C 110.801 -0.92 . . . . 71.24 110.801 168.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -141.04 133.71 5.99 Favored Glycine 0 C--N 1.337 0.634 0 CA-C-N 117.138 0.469 . . . . 43.01 112.33 -177.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -155.26 97.48 2.41 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 124.099 0.96 . . . . 64.04 108.568 174.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -58.15 117.0 3.64 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 123.087 2.525 . . . . 73.41 112.183 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.49 88.87 0.08 OUTLIER 'Trans proline' 0 C--N 1.384 2.418 0 C-N-CA 122.98 2.454 . . . . 62.23 112.269 176.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.45 22.0 12.7 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 114.872 -1.058 . . . . 75.34 111.059 -175.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 70.3 mt -85.77 93.09 8.79 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.082 0.553 . . . . 73.3 110.136 -177.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mp 55.48 80.32 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 125.178 1.391 . . . . 73.13 109.757 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -83.79 81.32 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 107.391 -1.336 . . . . 64.4 107.391 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -170.71 138.09 1.25 Allowed Pre-proline 0 CA--C 1.546 0.793 0 CA-C-N 113.879 -1.509 . . . . 72.41 108.934 -168.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -48.79 -71.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.385 2.484 0 C-N-CA 123.809 3.006 . . . . 73.54 113.709 175.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.2 tp -170.08 18.26 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.822 0.849 . . . . 71.12 110.302 173.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 52.7 ttm -60.45 -27.58 67.63 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.056 0.542 . . . . 62.35 110.296 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.95 84.2 4.24 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 108.96 -0.756 . . . . 72.42 108.96 168.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -84.72 93.61 8.48 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.102 -1.073 . . . . 64.51 108.102 170.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 62' ' ' SER . 50.2 mm -108.73 143.94 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 124.825 1.25 . . . . 65.43 109.102 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.704 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 41.0 t -67.19 97.42 0.53 Allowed 'General case' 0 C--N 1.351 0.666 0 N-CA-C 107.586 -1.264 . . . . 73.45 107.586 171.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -51.39 -39.51 57.35 Favored 'General case' 0 C--O 1.248 1.002 0 C-N-CA 125.751 1.62 . . . . 65.41 112.883 -171.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.3 mt -60.98 -47.24 94.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.233 0.613 . . . . 75.12 111.357 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.635 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 62.6 m -89.2 -23.9 22.28 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 112.277 0.473 . . . . 61.21 112.277 -168.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 64.4 t30 57.96 33.98 23.79 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.307 1.043 . . . . 75.32 110.014 -167.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -126.41 132.98 51.39 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.918 0.887 . . . . 64.42 109.489 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -111.41 19.16 24.64 Favored Glycine 0 CA--C 1.526 0.77 0 O-C-N 123.941 0.775 . . . . 61.02 111.837 170.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.2 -69.53 0.35 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.616 1.166 . . . . 52.51 110.232 -174.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.9 t -83.38 87.71 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 108.449 -0.945 . . . . 64.43 108.449 175.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -78.57 -25.43 45.36 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 114.893 -1.049 . . . . 74.02 111.635 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -59.44 -35.64 74.42 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.219 1.008 . . . . 70.52 112.807 -173.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.469 ' HA ' HD11 ' A' ' 75' ' ' ILE . 19.7 m -102.48 3.86 38.05 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.183 0.593 . . . . 45.54 111.214 -176.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 45.0 ttm -80.28 121.59 25.84 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 109.104 -0.702 . . . . 74.22 109.104 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.479 HD21 HG23 ' A' ' 75' ' ' ILE . 87.6 mt -112.77 143.15 44.49 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 124.368 1.067 . . . . 71.34 109.537 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -100.5 127.86 46.73 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 105.804 -1.925 . . . . 71.23 105.804 174.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.727 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 50.2 t -68.43 108.91 3.44 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.385 -0.598 . . . . 63.32 109.385 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -61.16 -26.68 67.86 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.263 1.025 . . . . 71.34 112.382 -171.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -89.58 -16.95 56.04 Favored Glycine 0 C--N 1.346 1.111 0 N-CA-C 114.402 0.521 . . . . 64.01 114.402 -176.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.727 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 19.8 p -146.22 -159.67 1.05 Allowed 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 117.862 0.831 . . . . 74.2 111.079 -172.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -116.14 97.69 6.21 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 124.343 1.057 . . . . 75.24 108.838 175.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -173.61 160.29 3.75 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.97 0.908 . . . . 73.33 108.881 174.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 40' ' ' ILE . 69.6 m -138.73 130.72 28.07 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.269 0.628 . . . . 74.24 109.945 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -130.24 140.43 50.7 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.043 1.337 . . . . 63.35 108.39 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.675 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 33.4 m170 -72.04 156.5 39.15 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 108.778 -0.823 . . . . 72.41 108.778 164.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.485 ' HA ' HD12 ' A' ' 72' ' ' LEU . 48.2 p -59.53 -39.92 85.48 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 123.903 0.752 . . . . 62.13 110.623 171.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -91.74 9.96 30.36 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.94 -1.027 . . . . 63.05 113.094 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.704 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 67.4 m -78.43 -43.67 26.72 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.272 0.558 . . . . 63.2 110.077 168.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.8 mt -82.54 138.36 34.3 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.777 -1.101 . . . . 72.33 109.135 -178.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.33 129.45 25.33 Favored Pre-proline 0 N--CA 1.479 0.999 0 CA-C-O 118.961 -0.542 . . . . 64.52 110.056 173.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 49.1 Cg_endo -66.84 140.98 53.12 Favored 'Cis proline' 0 C--N 1.385 2.494 0 CA-C-N 119.935 1.013 . . . . 72.02 113.231 -1.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 70' ' ' PRO . 32.6 Cg_exo -59.71 148.77 86.52 Favored 'Trans proline' 0 C--N 1.381 2.271 0 C-N-CA 123.323 2.682 . . . . 62.15 113.768 -174.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 65' ' ' THR . 61.8 mt -68.7 119.47 13.15 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.852 0.861 . . . . 44.32 109.396 -178.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.8 m -64.65 -38.69 91.87 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 123.961 0.788 . . . . 74.24 111.925 -170.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.1 m -145.17 148.71 33.86 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.394 0.677 . . . . 72.02 110.623 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.479 HG23 HD21 ' A' ' 54' ' ' LEU . 57.6 mt -77.98 119.89 79.12 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 115.013 -0.994 . . . . 63.34 109.203 174.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 75' ' ' ILE . 2.9 Cg_endo -84.19 44.0 1.46 Allowed 'Trans proline' 0 C--N 1.372 1.766 0 C-N-CA 123.417 2.745 . . . . 72.43 111.639 177.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt 63.2 -80.8 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.104 1.362 . . . . 65.24 111.03 -174.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -154.79 6.02 0.29 Allowed Glycine 0 N--CA 1.468 0.805 0 N-CA-C 110.232 -1.147 . . . . 72.42 110.232 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -86.74 42.53 1.02 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.137 1.375 . . . . 63.41 109.871 -178.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 82.3 t90 -118.52 130.57 56.0 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 108.661 -0.866 . . . . 75.31 108.661 -170.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.5 mt -107.08 138.72 42.73 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 124.434 1.093 . . . . 74.43 109.337 173.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 84' ' ' ARG . 29.0 p -71.84 153.3 93.13 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 109.162 -0.681 . . . . 74.42 109.162 171.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.591 ' HG2' HH11 ' A' ' 84' ' ' ARG . 37.8 Cg_endo -61.74 -18.54 61.07 Favored 'Trans proline' 0 C--N 1.371 1.733 0 C-N-CA 122.47 2.113 . . . . 71.33 112.504 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.591 HH11 ' HG2' ' A' ' 83' ' ' PRO . 6.8 mpt_? -63.63 -53.9 44.2 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.26 1.024 . . . . 74.44 109.426 174.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.44 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 97.4 m -56.29 -39.4 72.64 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 123.868 0.867 . . . . 61.32 112.049 -177.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 49.1 t -63.12 -43.64 99.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 114.823 -1.08 . . . . 75.11 110.724 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.6 m -94.2 -20.07 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 N-CA-C 113.185 0.809 . . . . 54.44 113.185 -172.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -87.42 -39.52 15.18 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 120.885 0.374 . . . . 74.32 110.291 -177.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -87.67 107.82 18.8 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 108.793 -0.817 . . . . 54.25 108.793 178.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.9 t -87.24 93.56 4.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 107.194 -1.41 . . . . 74.34 107.194 174.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.7 t -60.97 -57.25 13.41 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.603 0.761 . . . . 70.41 111.001 -175.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.19 121.43 27.07 Favored Pre-proline 0 CA--C 1.55 0.959 0 N-CA-C 107.721 -1.214 . . . . 74.32 107.721 171.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -69.35 101.89 0.9 Allowed 'Trans proline' 0 C--N 1.373 1.828 0 C-N-CA 122.815 2.343 . . . . 54.41 113.301 -175.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 107.35 -1.352 . . . . 74.13 107.35 174.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.635 'ZN ' ' SG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . 0.725 'ZN ' ' HG ' ' A' ' 59' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.0 p . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 110.614 -0.143 . . . . 73.53 110.614 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 -69.44 105.93 2.78 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.166 0.586 . . . . 73.04 109.697 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 55.7 ttp -68.29 94.69 0.55 Allowed 'General case' 0 C--O 1.238 0.491 0 N-CA-C 108.881 -0.785 . . . . 74.44 108.881 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.6 p -73.53 86.96 1.59 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.583 -0.735 . . . . 62.41 109.042 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.12 70.48 2.67 Favored Glycine 0 C--N 1.343 0.945 0 CA-C-N 115.259 -0.882 . . . . 74.2 111.735 -177.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.6 -93.35 0.04 OUTLIER Glycine 0 C--N 1.352 1.446 0 N-CA-C 110.643 -0.983 . . . . 73.33 110.643 171.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.7 p -177.91 103.79 0.21 Allowed Pre-proline 0 N--CA 1.475 0.818 0 C-N-CA 124.027 0.931 . . . . 55.41 109.456 173.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -61.26 127.68 22.77 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.051 1.834 . . . . 63.3 109.547 167.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 mp -75.56 74.96 2.59 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.47 0.708 . . . . 73.21 109.947 -176.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.84 79.91 3.43 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.968 0.907 . . . . 45.14 108.711 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.8 m -75.28 89.92 2.59 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 114.883 -1.053 . . . . 61.5 111.366 -170.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.35 130.69 10.97 Favored Glycine 0 C--N 1.338 0.663 0 N-CA-C 110.18 -1.168 . . . . 73.0 110.18 168.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.3 p -68.94 85.29 0.33 Allowed 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 121.73 0.776 . . . . 74.4 110.895 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.6 m -118.08 91.19 3.5 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.958 -1.019 . . . . 75.23 108.477 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.4 96.79 0.58 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.945 0.898 . . . . 71.44 109.195 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -90.09 115.21 27.18 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 108.997 -0.742 . . . . 74.11 108.997 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.7 m -84.8 102.42 13.04 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.481 0.712 . . . . 43.41 110.392 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -89.22 143.78 26.59 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.076 0.951 . . . . 62.35 109.488 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.79 79.36 0.05 OUTLIER Glycine 0 C--N 1.341 0.81 0 N-CA-C 111.609 -0.596 . . . . 33.41 111.609 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.26 87.19 1.25 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.455 0.702 . . . . 71.45 109.622 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.9 p -159.2 118.97 3.04 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.107 0.963 . . . . 74.13 110.433 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -147.98 147.33 29.52 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.263 1.025 . . . . 73.44 108.596 175.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -85.1 97.97 10.17 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 109.702 -0.481 . . . . 55.3 109.702 -177.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -129.94 106.0 8.36 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.791 0.837 . . . . 70.35 109.89 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.62 54.59 0.01 OUTLIER Glycine 0 C--N 1.339 0.743 0 N-CA-C 111.04 -0.824 . . . . 53.34 111.04 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.26 71.15 0.47 Allowed Glycine 0 C--N 1.342 0.916 0 N-CA-C 111.482 -0.647 . . . . 73.0 111.482 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 69.02 112.23 0.03 OUTLIER Pre-proline 0 CA--C 1.558 1.253 0 C-N-CA 124.838 1.255 . . . . 55.33 112.159 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -86.8 101.47 0.56 Allowed 'Trans proline' 0 CA--C 1.558 1.701 0 C-N-CA 123.291 2.661 . . . . 71.34 109.524 161.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -67.87 84.87 0.41 Allowed 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 123.099 2.533 . . . . 63.15 112.495 -171.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -174.84 22.62 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.251 1.421 . . . . 72.31 109.823 -179.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.3 tp -123.99 80.63 1.83 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.636 0.774 . . . . 74.11 109.443 -175.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.4 tt -161.63 117.97 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 C-N-CA 123.896 0.879 . . . . 62.22 109.882 170.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.5 p -173.03 150.96 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.365 1.066 . . . . 75.3 108.781 174.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -111.17 128.03 25.98 Favored Pre-proline 0 N--CA 1.473 0.682 0 N-CA-C 108.869 -0.789 . . . . 75.43 108.869 172.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -70.91 1.18 5.45 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 123.169 2.58 . . . . 65.21 112.644 174.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.6 mt -67.4 87.89 0.19 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.435 1.094 . . . . 65.34 109.863 173.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 56.7 ttm -139.89 7.99 2.3 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.78 1.232 . . . . 74.11 108.341 170.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -132.58 179.54 6.08 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.879 1.271 . . . . 54.13 108.801 -176.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.437 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 73.2 m-85 -64.89 -60.15 3.39 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.003 0.521 . . . . 74.12 110.546 175.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.4 mt 62.68 109.85 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 125.563 1.545 . . . . 73.03 113.268 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 22.1 t -75.13 88.14 2.44 Favored 'General case' 0 C--N 1.346 0.448 0 N-CA-C 106.748 -1.575 . . . . 75.01 106.748 168.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -39.95 -42.57 1.38 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 125.125 1.515 . . . . 55.22 112.628 -171.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.6 mt -56.4 -52.19 55.25 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 C-N-CA 124.185 0.994 . . . . 75.44 112.404 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.849 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 21.2 p -100.18 -1.03 37.59 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 122.001 -0.437 . . . . 72.55 111.419 -174.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 63.61 10.67 5.15 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.132 1.373 . . . . 71.5 113.14 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -83.21 112.68 20.08 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.493 0.717 . . . . 71.14 110.729 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.51 73.33 0.23 Allowed Glycine 0 C--O 1.241 0.547 0 N-CA-C 107.679 -2.168 . . . . 64.34 107.679 169.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -170.52 -44.46 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 109.002 -0.74 . . . . 71.2 109.002 -159.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.8 t -97.5 78.68 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.204 0.601 . . . . 74.13 109.713 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.553 ' HA ' ' HB3' ' A' ' 53' ' ' MET . 2.8 mp0 -81.52 -18.94 43.31 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.136 0.574 . . . . 74.23 110.627 173.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -55.36 -36.81 66.73 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.652 1.181 . . . . 73.4 112.914 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.0 t -103.38 0.65 31.59 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.319 0.648 . . . . 52.5 111.48 177.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.553 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 40.9 ttm -100.25 131.65 46.07 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.985 0.514 . . . . 74.52 110.46 -171.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.508 HD11 HG23 ' A' ' 65' ' ' THR . 6.0 mp -103.71 152.82 21.37 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.057 1.343 . . . . 74.11 109.401 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -102.01 137.36 40.39 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.887 -0.597 . . . . 71.22 109.707 174.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.5 t -82.23 133.3 35.25 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.308 -0.86 . . . . 73.25 109.822 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -78.46 -50.94 10.76 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.627 0.371 . . . . 71.52 111.017 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.22 -17.24 69.95 Favored Glycine 0 C--N 1.349 1.258 0 CA-C-N 115.714 -0.676 . . . . 71.44 114.434 -170.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.3 p -165.59 177.84 7.09 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.314 1.046 . . . . 63.3 109.753 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -92.86 91.42 7.43 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.41 0.684 . . . . 43.1 109.253 -172.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -135.53 148.77 49.27 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 108.661 -0.866 . . . . 52.4 108.661 177.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.533 ' HB3' ' SD ' ' A' ' 53' ' ' MET . 30.1 m -138.19 121.1 16.56 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 108.144 -1.058 . . . . 72.23 108.144 174.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -149.34 145.59 27.09 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.668 0.787 . . . . 70.24 110.575 -173.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.485 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 31.2 m170 -76.08 155.68 34.57 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.246 0.618 . . . . 61.42 110.384 174.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.672 HG21 HG12 ' A' ' 75' ' ' ILE . 7.9 p -59.06 -51.73 68.8 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.605 0.762 . . . . 51.43 111.219 172.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -74.48 -11.92 60.35 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 114.856 -1.065 . . . . 74.21 112.334 -173.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.774 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 84.0 m -90.77 -21.86 21.33 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-N 118.202 0.455 . . . . 70.13 112.089 -177.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.7 mt -83.28 42.78 0.84 Allowed 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 113.668 0.988 . . . . 73.42 113.668 -172.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mp -55.45 120.18 29.51 Favored Pre-proline 0 N--CA 1.5 2.072 0 C-N-CA 123.55 0.74 . . . . 73.43 112.157 -174.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -67.11 117.44 2.31 Favored 'Cis proline' 0 C--N 1.389 2.666 0 CA-C-N 120.392 1.176 . . . . 72.52 112.727 5.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -74.65 160.88 40.56 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.889 2.393 . . . . 74.23 114.112 -160.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.6 mt -77.42 82.74 3.86 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 108.436 -0.95 . . . . 73.13 108.436 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 t -61.86 -22.83 65.86 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.818 0.847 . . . . 73.31 112.001 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.5 t -125.75 136.55 53.29 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 107.24 -1.393 . . . . 64.23 107.24 165.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.672 HG12 HG21 ' A' ' 65' ' ' THR . 26.3 mt -73.21 123.36 89.44 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 123.682 0.793 . . . . 73.44 110.301 -178.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -48.42 127.86 16.6 Favored 'Trans proline' 0 C--N 1.384 2.428 0 C-N-CA 123.458 2.772 . . . . 74.22 111.766 169.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -47.59 81.4 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 125.681 1.593 . . . . 44.53 113.335 -177.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.03 -86.34 1.5 Allowed Glycine 0 C--N 1.348 1.207 0 CA-C-N 114.645 -1.161 . . . . 65.03 112.299 175.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -95.34 123.93 39.11 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.477 0.711 . . . . 73.2 110.468 -173.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 31.5 t90 -101.28 150.07 23.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.862 1.265 . . . . 71.32 111.022 -172.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.5 mt -115.56 127.93 55.6 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.55 -0.907 . . . . 71.22 108.55 172.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.64 ' SG ' ' HB2' ' A' ' 84' ' ' ARG . 26.4 p -77.4 161.5 72.28 Favored Pre-proline 0 CA--C 1.552 1.019 0 C-N-CA 123.084 0.554 . . . . 73.32 110.345 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -48.13 -33.89 22.38 Favored 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 123.042 2.495 . . . . 55.43 113.31 168.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.64 ' HB2' ' SG ' ' A' ' 82' ' ' CYS . 92.2 mtt180 -61.82 -40.73 96.29 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.879 0.872 . . . . 72.51 111.249 175.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 83.2 m -73.52 -28.38 61.87 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.446 0.698 . . . . 63.41 111.751 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.1 t -66.33 -41.54 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.229 0.611 . . . . 73.32 109.545 173.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.5 t -74.65 -22.96 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 C-N-CA 123.558 0.743 . . . . 73.12 110.652 173.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 68.82 -69.84 0.15 Allowed 'General case' 0 C--N 1.36 1.023 0 C-N-CA 126.849 2.06 . . . . 72.3 110.392 -170.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.95 140.37 22.38 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 106.04 -1.837 . . . . 74.35 106.04 173.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.0 t -69.28 91.33 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 N-CA-C 108.628 -0.879 . . . . 72.54 108.628 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.4 t -71.48 123.28 22.06 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 124.083 0.953 . . . . 74.31 111.226 -167.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -80.4 122.27 82.45 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 123.545 0.738 . . . . 74.33 109.917 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -68.98 85.26 0.51 Allowed 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 122.451 2.101 . . . . 61.14 110.441 166.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? . . . . . 0 C--O 1.247 0.953 0 N-CA-C 108.527 -0.916 . . . . 73.32 108.527 -177.947 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.849 'ZN ' ' HG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.5 p . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 110.038 -0.356 . . . . 72.5 110.038 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -63.71 99.41 0.23 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.313 0.645 . . . . 74.15 110.221 -177.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 67.3 mtt -67.83 86.95 0.23 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.452 0.701 . . . . 63.45 109.617 176.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.1 t -99.7 98.6 9.42 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 107.938 -1.134 . . . . 61.45 107.938 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -135.51 97.31 0.28 Allowed Glycine 0 C--N 1.34 0.768 0 CA-C-N 115.76 -0.654 . . . . 51.11 111.496 -178.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.91 118.02 9.23 Favored Glycine 0 C--N 1.342 0.902 0 N-CA-C 111.201 -0.759 . . . . 74.44 111.201 173.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.1 t -117.59 86.0 22.38 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 123.586 0.754 . . . . 74.12 109.55 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -79.06 125.36 6.49 Favored 'Trans proline' 0 C--N 1.371 1.747 0 C-N-CA 122.071 1.848 . . . . 74.35 110.164 174.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.7 mt -56.37 114.98 2.22 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.414 0.686 . . . . 72.24 109.319 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.48 84.69 0.17 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.685 0.794 . . . . 64.11 110.854 -169.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.5 m 67.41 143.46 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.894 1.678 . . . . 73.54 112.657 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.69 143.56 16.83 Favored Glycine 0 C--N 1.342 0.872 0 N-CA-C 110.984 -0.846 . . . . 73.05 110.984 170.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.4 p -70.91 158.96 35.54 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.604 0.762 . . . . 74.2 111.329 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.4 p -121.13 167.55 12.53 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.396 1.079 . . . . 75.24 109.655 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.1 126.56 8.7 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.118 0.567 . . . . 74.23 109.991 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -117.2 98.96 6.72 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 107.775 -1.195 . . . . 74.13 107.775 176.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.4 m -64.58 114.07 4.14 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.674 0.79 . . . . 64.31 111.279 -173.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -101.01 -171.42 2.0 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.655 0.782 . . . . 74.14 110.908 -178.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.05 90.24 0.08 OUTLIER Glycine 0 C--N 1.348 1.217 0 CA-C-N 115.979 -0.555 . . . . 64.34 112.28 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.9 109.13 11.66 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.021 0.528 . . . . 75.23 109.996 178.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.7 m -77.34 77.97 3.87 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-O 121.651 0.739 . . . . 62.31 110.346 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -109.04 129.97 55.47 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.25 -0.886 . . . . 72.33 110.494 -176.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -174.48 103.1 0.1 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.749 0.82 . . . . 73.11 109.674 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -171.44 156.31 4.47 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.697 0.799 . . . . 63.3 110.43 171.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.45 41.58 99.76 Favored Glycine 0 C--N 1.347 1.16 0 O-C-N 123.699 0.625 . . . . 74.51 112.983 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -86.32 60.85 4.52 Favored Glycine 0 C--N 1.346 1.126 0 N-CA-C 111.235 -0.746 . . . . 64.24 111.235 178.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -163.06 92.72 1.18 Allowed Pre-proline 0 C--O 1.245 0.816 0 N-CA-C 107.551 -1.277 . . . . 72.34 107.551 -173.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.83 130.06 33.28 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.134 1.889 . . . . 44.14 110.251 173.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -66.25 94.6 0.3 Allowed 'Trans proline' 0 C--N 1.378 2.086 0 C-N-CA 122.585 2.19 . . . . 64.21 111.189 -174.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.77 93.96 0.06 Allowed 'General case' 0 C--N 1.349 0.552 0 CA-C-N 115.106 -0.952 . . . . 72.53 109.871 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.7 tp -92.88 96.81 10.35 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.967 -1.015 . . . . 75.02 109.952 -172.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.451 HG23 ' HB3' ' A' ' 34' ' ' ASP . 2.3 mp -75.02 92.17 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 108.822 -0.807 . . . . 73.21 108.822 176.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.7 t -91.57 -1.56 10.1 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.279 0 C-N-CA 123.884 0.873 . . . . 61.14 108.803 168.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.451 ' HB3' HG23 ' A' ' 32' ' ' ILE . 13.9 t70 -56.86 141.01 75.73 Favored Pre-proline 0 CA--C 1.556 1.208 0 C-N-CA 125.171 1.388 . . . . 74.24 110.617 174.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -44.23 -36.69 9.32 Favored 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 124.269 3.313 . . . . 72.22 113.965 177.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.8 tt 77.35 -54.65 0.54 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 125.449 1.5 . . . . 72.31 111.822 173.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.4 tpt -59.13 85.93 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 124.564 1.145 . . . . 65.03 111.997 -177.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -148.99 162.55 39.68 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.945 1.298 . . . . 70.53 108.98 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -70.41 -72.58 0.2 Allowed 'General case' 0 C--O 1.243 0.719 0 O-C-N 123.591 0.557 . . . . 74.02 109.547 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.0 mt 63.64 127.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 125.494 1.517 . . . . 74.24 112.021 175.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 53.0 t -61.49 105.91 0.58 Allowed 'General case' 0 C--N 1.35 0.608 0 N-CA-C 109.158 -0.682 . . . . 63.53 109.158 176.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -62.47 -14.68 43.91 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 125.465 1.506 . . . . 72.25 112.301 -173.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.3 mt -94.38 -34.59 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 C-N-CA 123.297 0.639 . . . . 73.12 110.211 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.75 ' SG ' ' SG ' ' A' ' 67' ' ' CYS . 84.0 m -80.74 -24.92 38.36 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 122.826 0.45 . . . . 70.04 111.698 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.8 t30 74.86 -24.7 0.21 Allowed 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 125.421 1.488 . . . . 72.12 111.877 -172.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -109.84 167.55 10.07 Favored 'General case' 0 C--O 1.244 0.801 0 C-N-CA 124.265 1.026 . . . . 73.14 110.83 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -99.7 39.96 2.59 Favored Glycine 0 C--N 1.345 1.064 0 CA-C-N 115.293 -0.867 . . . . 34.41 113.314 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -72.1 156.84 38.75 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.358 -0.608 . . . . 73.23 109.358 174.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.0 t 43.09 55.07 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 125.11 1.364 . . . . 75.22 111.167 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -65.44 -21.53 66.66 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 114.564 -1.198 . . . . 52.41 112.441 -172.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -64.47 -37.11 86.41 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.715 0.806 . . . . 73.11 110.692 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.3 m -97.02 13.28 29.56 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.282 0.633 . . . . 51.21 111.55 -175.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 46.1 ttm -84.32 102.51 12.76 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 108.656 -0.868 . . . . 70.03 108.656 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.2 mt -74.32 145.93 43.52 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.148 -0.933 . . . . 74.34 108.961 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.67 116.51 25.44 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.972 -1.121 . . . . 74.34 107.972 175.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.614 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 43.6 t -57.7 110.4 0.89 Allowed 'General case' 0 C--N 1.354 0.789 0 O-C-N 123.714 0.634 . . . . 62.13 109.741 173.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -58.38 -30.08 66.51 Favored 'General case' 0 CA--C 1.562 1.415 0 O-C-N 124.066 0.854 . . . . 60.45 111.764 -177.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.537 ' O ' ' SG ' ' A' ' 59' ' ' CYS . . . -118.22 59.26 0.5 Allowed Glycine 0 CA--C 1.544 1.872 0 CA-C-N 115.477 -0.783 . . . . 52.1 113.398 177.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.849 ' HG ' 'ZN ' ' A' ' 102' ' ' ' ZN' . 64.8 m -173.72 -34.86 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 126.274 1.83 . . . . 72.1 110.272 168.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.6 t70 61.14 56.57 2.71 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 122.944 1.354 . . . . 72.22 109.284 -168.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -125.7 134.37 51.83 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 107.356 -1.35 . . . . 70.04 107.356 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.5 m -102.16 122.2 43.7 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.729 0.812 . . . . 42.32 110.568 -169.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -136.0 138.24 42.05 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.296 1.038 . . . . 73.21 108.252 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.67 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 26.6 m170 -74.49 156.29 37.07 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 118.34 0.518 . . . . 73.4 109.969 170.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 36.8 p -53.59 -45.93 70.17 Favored 'General case' 0 CA--C 1.553 1.06 0 O-C-N 124.652 1.22 . . . . 75.02 111.357 170.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -85.74 -23.74 27.2 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 115.239 -0.891 . . . . 75.44 113.187 -175.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.75 ' SG ' ' SG ' ' A' ' 44' ' ' CYS . 86.9 m -69.06 -25.61 64.54 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 118.252 0.478 . . . . 72.13 112.041 -179.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.5 mt -80.63 155.44 26.85 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.557 -0.534 . . . . 73.34 109.557 172.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 pp -124.97 136.45 28.11 Favored Pre-proline 0 CA--C 1.549 0.917 0 N-CA-C 108.857 -0.794 . . . . 64.25 108.857 169.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -64.09 137.55 28.28 Favored 'Cis proline' 0 C--N 1.378 2.095 0 CA-C-N 120.018 1.042 . . . . 71.45 112.393 -7.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -68.42 124.85 12.1 Favored 'Trans proline' 0 C--N 1.371 1.733 0 C-N-CA 122.637 2.225 . . . . 43.12 112.803 -173.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.415 ' O ' ' HB ' ' A' ' 65' ' ' THR . 48.5 mt -65.87 113.54 4.44 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.548 -0.751 . . . . 74.24 109.322 172.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.1 p -80.42 -1.29 40.83 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.528 0.731 . . . . 63.3 111.901 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.3 t -155.34 176.83 12.06 Favored 'General case' 0 C--O 1.248 1.021 0 C-N-CA 124.335 1.054 . . . . 53.23 109.269 -177.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.0 mt -64.6 128.28 93.3 Favored Pre-proline 0 CA--C 1.559 1.3 0 N-CA-C 109.288 -0.634 . . . . 74.42 109.288 172.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -64.24 177.52 2.0 Allowed 'Trans proline' 0 C--N 1.375 1.947 0 C-N-CA 123.284 2.656 . . . . 74.34 113.881 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -64.55 97.42 0.21 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.165 0.986 . . . . 74.43 111.254 -176.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 63.46 -136.06 42.14 Favored Glycine 0 C--N 1.35 1.329 0 O-C-N 123.658 0.599 . . . . 44.44 111.782 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -69.78 150.52 46.8 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.346 -0.613 . . . . 61.34 109.346 173.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -111.76 131.84 55.05 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 121.194 0.521 . . . . 75.02 110.121 -173.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.439 ' HB3' ' HB2' ' A' ' 85' ' ' CYS . 82.0 mt -104.94 132.35 51.3 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.271 1.028 . . . . 62.22 109.162 173.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.781 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 19.2 p -66.58 159.69 72.2 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 123.339 0.656 . . . . 73.5 111.153 175.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.423 ' HB2' ' NH2' ' A' ' 84' ' ' ARG . 51.7 Cg_exo -56.84 -20.5 36.07 Favored 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 122.582 2.188 . . . . 53.31 112.88 171.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.703 ' HB2' ' SG ' ' A' ' 82' ' ' CYS . 0.0 OUTLIER -62.41 -47.03 85.91 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.796 0.839 . . . . 72.3 110.287 171.121 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.701 ' SG ' ' SG ' ' A' ' 82' ' ' CYS . 59.0 m -66.79 -39.48 87.79 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.62 0.768 . . . . 75.11 111.066 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.7 t -66.68 -43.14 90.37 Favored 'Isoleucine or valine' 0 C--O 1.247 0.947 0 CA-C-N 114.761 -1.108 . . . . 74.51 109.774 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.0 t 74.99 -49.95 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 C-N-CA 126.088 1.755 . . . . 75.1 111.045 -176.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 71.22 122.15 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.163 1.785 . . . . 64.3 111.634 175.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -64.6 -22.82 67.07 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.559 1.144 . . . . 71.01 112.404 -171.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 m -100.12 89.57 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 109.132 -0.692 . . . . 64.35 109.132 170.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.9 m -81.88 162.47 22.76 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.848 -0.614 . . . . 62.31 110.602 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -73.55 156.95 88.34 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 123.903 0.881 . . . . 64.11 109.221 175.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -55.13 141.25 80.32 Favored 'Trans proline' 0 C--N 1.376 1.984 0 C-N-CA 122.634 2.223 . . . . 75.23 112.815 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 . . . . . 0 C--O 1.255 1.345 0 C-N-CA 123.485 0.714 . . . . 54.4 109.404 178.892 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.696 'ZN ' ' HG ' ' A' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . 0.849 'ZN ' ' HG ' ' A' ' 59' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_